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

1
Patents

137.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 128.9
[M+Na]+ 160.03690 138.7
[M-H]- 136.04040 131.3
[M+NH4]+ 155.08150 149.4
[M+K]+ 176.01084 136.3
[M+H-H2O]+ 120.04494 117.5
[M+HCOO]- 182.04588 148.1
[M+CH3COO]- 196.06153 182.9
[M+Na-2H]- 158.02235 132.4
[M]+ 137.04713 122.5
[M]- 137.04823 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