CID 24976497

2-cyanocyclopent-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC(=C(C1)C(=O)O)C#N
InChI
InChI=1S/C7H7NO2/c8-4-5-2-1-3-6(5)7(9)10/h1-3H2,(H,9,10)
InChIKey
JGUITCOQVYLRNY-UHFFFAOYSA-N
Compound name
2-cyanocyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

137.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 128.9
[M+Na]+ 160.036898 138.7
[M-H]- 136.040404 131.3
[M+NH4]+ 155.081503 149.4
[M+K]+ 176.010838 136.3
[M+H-H2O]+ 120.044940 117.5
[M+HCOO]- 182.045881 148.1
[M+CH3COO]- 196.061531 182.9
[M+Na-2H]- 158.022346 132.4
[M]+ 137.04713142 122.5
[M]- 137.04822858 122.5
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