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

7
Patents

139.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 129.5
[M+Na]+ 162.052538 138.5
[M-H]- 138.056044 131.7
[M+NH4]+ 157.097143 149.9
[M+K]+ 178.026478 136.2
[M+H-H2O]+ 122.060580 118.2
[M+HCOO]- 184.061521 147.4
[M+CH3COO]- 198.077171 183.2
[M+Na-2H]- 160.037986 132.3
[M]+ 139.06277142 121.9
[M]- 139.06386858 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