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]+ 164.01897 128.2
[M+Na]+ 186.00091 135.9
[M+NH4]+ 181.04551 132.7
[M+K]+ 201.97485 137.9
[M-H]- 162.00441 125.0
[M+Na-2H]- 183.98636 128.3
[M]+ 163.01114 127.6
[M]- 163.01224 127.6
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

No patent data available for this compound.