CID 13642471

27392-17-2

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)[C@@H]1CCC[C@@H](C1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)/t8-,9+/m0/s1
InChIKey
LIBHBDGDJPRTOA-DTWKUNHWSA-N
Compound name
(1S,3R)-3-tert-butylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.2
[M+Na]+ 207.13555 147.8
[M-H]- 183.13905 144.8
[M+NH4]+ 202.18015 162.6
[M+K]+ 223.10949 146.6
[M+H-H2O]+ 167.14359 138.6
[M+HCOO]- 229.14453 159.4
[M+CH3COO]- 243.16018 180.6
[M+Na-2H]- 205.12100 145.9
[M]+ 184.14578 139.1
[M]- 184.14688 139.1
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.