CID 57449964

2-(4-methoxycyclohexyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C11H20O3
SMILES
CC(C)(C1CCC(CC1)OC)C(=O)O
InChI
InChI=1S/C11H20O3/c1-11(2,10(12)13)8-4-6-9(14-3)7-5-8/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKey
IECGLONEPLTISK-UHFFFAOYSA-N
Compound name
2-(4-methoxycyclohexyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

200.14125 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 146.1
[M+Na]+ 223.130468 150.5
[M-H]- 199.133974 147.5
[M+NH4]+ 218.175073 164.6
[M+K]+ 239.104408 149.8
[M+H-H2O]+ 183.138510 141.2
[M+HCOO]- 245.139451 162.5
[M+CH3COO]- 259.155101 183.4
[M+Na-2H]- 221.115916 148.8
[M]+ 200.14070142 143.6
[M]- 200.14179858 143.6
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.