CID 547818

Methyl 2-nitropropanoate

Structural Information

Molecular Formula
C4H7NO4
SMILES
CC(C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C4H7NO4/c1-3(5(7)8)4(6)9-2/h3H,1-2H3
InChIKey
UHXOPEVCNMQIAA-UHFFFAOYSA-N
Compound name
methyl 2-nitropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

133.0375 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.04478 123.1
[M+Na]+ 156.02672 130.3
[M-H]- 132.03022 123.9
[M+NH4]+ 151.07132 144.2
[M+K]+ 172.00066 128.0
[M+H-H2O]+ 116.03476 123.4
[M+HCOO]- 178.03570 147.6
[M+CH3COO]- 192.05135 166.0
[M+Na-2H]- 154.01217 129.6
[M]+ 133.03695 123.3
[M]- 133.03805 123.3
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

No patent data available for this compound.