CID 12772259

13377-52-1

Structural Information

Molecular Formula
C11H20O2
SMILES
CC1(CCCC(C1C(=O)O)(C)C)C
InChI
InChI=1S/C11H20O2/c1-10(2)6-5-7-11(3,4)8(10)9(12)13/h8H,5-7H2,1-4H3,(H,12,13)
InChIKey
XLGUQUPTNAELKF-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 142.5
[M+Na]+ 207.13555 152.5
[M+NH4]+ 202.18015 153.3
[M+K]+ 223.10949 143.8
[M-H]- 183.13905 143.4
[M+Na-2H]- 205.12100 148.9
[M]+ 184.14578 144.3
[M]- 184.14688 144.3
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

patents stripe