CID 82418395

3-cyanocyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC(CC1C#N)C(=O)O
InChI
InChI=1S/C7H9NO2/c8-4-5-1-2-6(3-5)7(9)10/h5-6H,1-3H2,(H,9,10)
InChIKey
UHUKTBANOMOVBQ-UHFFFAOYSA-N
Compound name
3-cyanocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 129.5
[M+Na]+ 162.05254 138.5
[M-H]- 138.05604 131.7
[M+NH4]+ 157.09714 149.9
[M+K]+ 178.02648 136.2
[M+H-H2O]+ 122.06058 118.2
[M+HCOO]- 184.06152 147.4
[M+CH3COO]- 198.07717 183.2
[M+Na-2H]- 160.03799 132.3
[M]+ 139.06277 121.9
[M]- 139.06387 121.9
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