CID 140970

2-nitrocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H5NO4
SMILES
C1C(C1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C4H5NO4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)
InChIKey
ZWYGYMZMGJZSMM-UHFFFAOYSA-N
Compound name
2-nitrocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

131.02185 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02913 116.9
[M+Na]+ 154.01107 126.5
[M-H]- 130.01457 120.9
[M+NH4]+ 149.05567 132.8
[M+K]+ 169.98501 120.9
[M+H-H2O]+ 114.01911 116.7
[M+HCOO]- 176.02005 141.1
[M+CH3COO]- 190.03570 166.8
[M+Na-2H]- 151.99652 124.5
[M]+ 131.02130 117.6
[M]- 131.02240 117.6
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