CID 62315074

2-cyano-3-cyclopropylprop-2-enoic acid

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC1/C=C(/C#N)\C(=O)O
InChI
InChI=1S/C7H7NO2/c8-4-6(7(9)10)3-5-1-2-5/h3,5H,1-2H2,(H,9,10)/b6-3-
InChIKey
FZERGXZRBYBPDM-UTCJRWHESA-N
Compound name
(Z)-2-cyano-3-cyclopropylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

137.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 130.6
[M+Na]+ 160.03690 140.8
[M+NH4]+ 155.08150 135.0
[M+K]+ 176.01084 135.2
[M-H]- 136.04040 129.5
[M+Na-2H]- 158.02235 134.3
[M]+ 137.04713 131.6
[M]- 137.04823 131.6
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