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

83
Patents

153.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 133.5
[M+Na]+ 176.068198 141.7
[M-H]- 152.071704 135.6
[M+NH4]+ 171.112803 153.5
[M+K]+ 192.042138 138.7
[M+H-H2O]+ 136.076240 122.9
[M+HCOO]- 198.077181 149.4
[M+CH3COO]- 212.092831 184.8
[M+Na-2H]- 174.053646 138.6
[M]+ 153.07843142 124.5
[M]- 153.07952858 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