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

97
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 126.0
[M+Na]+ 160.03690 140.5
[M-H]- 136.04040 131.3
[M+NH4]+ 155.08150 142.3
[M+K]+ 176.01084 135.1
[M+H-H2O]+ 120.04494 117.1
[M+HCOO]- 182.04588 146.0
[M+CH3COO]- 196.06153 186.8
[M+Na-2H]- 158.02235 132.0
[M]+ 137.04713 124.2
[M]- 137.04823 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