CID 45082512

Nitrosuccinate

Structural Information

Molecular Formula
C4H5NO6
SMILES
C([C@@H](C(=O)O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C4H5NO6/c6-3(7)1-2(4(8)9)5(10)11/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
ALYOQPBWHZJZLF-REOHCLBHSA-N
Compound name
(2S)-2-nitrobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.01169 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.018966 126.6
[M+Na]+ 186.000908 132.7
[M-H]- 162.004414 124.5
[M+NH4]+ 181.045513 144.6
[M+K]+ 201.974848 129.3
[M+H-H2O]+ 146.008950 126.9
[M+HCOO]- 208.009891 147.8
[M+CH3COO]- 222.025541 165.1
[M+Na-2H]- 183.986356 131.3
[M]+ 163.01114142 124.5
[M]- 163.01223858 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.