CID 243779

(1s,2r)-2-(methoxycarbonyl)cyclohexanecarboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChI
InChI=1S/C9H14O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1
InChIKey
BOVPVRGRPPYECC-NKWVEPMBSA-N
Compound name
(1S,2R)-2-methoxycarbonylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

396
Patents

186.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 140.1
[M+Na]+ 209.07842 148.7
[M+NH4]+ 204.12302 146.7
[M+K]+ 225.05236 145.3
[M-H]- 185.08192 139.5
[M+Na-2H]- 207.06387 142.5
[M]+ 186.08865 140.7
[M]- 186.08975 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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