CID 176472570

2-(1-carboxy-2-hydroxypropan-2-yl)-2-methyl-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C15H24O5
SMILES
CC(=C)C1CCC(C(C1)(C)C(C)(CC(=O)O)O)C(=O)O
InChI
InChI=1S/C15H24O5/c1-9(2)10-5-6-11(13(18)19)14(3,7-10)15(4,20)8-12(16)17/h10-11,20H,1,5-8H2,2-4H3,(H,16,17)(H,18,19)
InChIKey
NRZSGTHZKQOKJO-UHFFFAOYSA-N
Compound name
2-(1-carboxy-2-hydroxypropan-2-yl)-2-methyl-4-prop-1-en-2-ylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.16238 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.169656 164.7
[M+Na]+ 307.151598 168.2
[M-H]- 283.155104 163.2
[M+NH4]+ 302.196203 180.2
[M+K]+ 323.125538 166.4
[M+H-H2O]+ 267.159640 161.3
[M+HCOO]- 329.160581 175.4
[M+CH3COO]- 343.176231 196.0
[M+Na-2H]- 305.137046 163.4
[M]+ 284.16183142 161.0
[M]- 284.16292858 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.