CID 22640706

227203-34-1

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CCC(CC1)(C#N)C(=O)O
InChI
InChI=1S/C8H11NO2/c9-6-8(7(10)11)4-2-1-3-5-8/h1-5H2,(H,10,11)
InChIKey
ISEJXQAAWBXLGB-UHFFFAOYSA-N
Compound name
1-cyanocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

153.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 133.5
[M+Na]+ 176.06820 141.7
[M-H]- 152.07170 135.6
[M+NH4]+ 171.11280 153.5
[M+K]+ 192.04214 138.7
[M+H-H2O]+ 136.07624 122.9
[M+HCOO]- 198.07718 149.4
[M+CH3COO]- 212.09283 184.8
[M+Na-2H]- 174.05365 138.6
[M]+ 153.07843 124.5
[M]- 153.07953 124.5
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