CID 70513033

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

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC1C=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)
InChIKey
FZERGXZRBYBPDM-UHFFFAOYSA-N
Compound name
2-cyano-3-cyclopropylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

137.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 126.0
[M+Na]+ 160.036898 140.5
[M-H]- 136.040404 131.3
[M+NH4]+ 155.081503 142.3
[M+K]+ 176.010838 135.1
[M+H-H2O]+ 120.044940 117.1
[M+HCOO]- 182.045881 146.0
[M+CH3COO]- 196.061531 186.8
[M+Na-2H]- 158.022346 132.0
[M]+ 137.04713142 124.2
[M]- 137.04822858 124.2
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