CID 79729289

2-(4,4-dimethylcyclohexyl)propanoic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C1CCC(CC1)(C)C)C(=O)O
InChI
InChI=1S/C11H20O2/c1-8(10(12)13)9-4-6-11(2,3)7-5-9/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKey
SYDQMQSICKMELS-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylcyclohexyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

184.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 144.1
[M+Na]+ 207.13555 153.3
[M+NH4]+ 202.18015 153.3
[M+K]+ 223.10949 146.7
[M-H]- 183.13905 144.8
[M+Na-2H]- 205.12100 148.7
[M]+ 184.14578 145.5
[M]- 184.14688 145.5
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