CID 45115927

2443-29-0

Structural Information

Molecular Formula
C5H8N2O4
SMILES
C1CN([C@@H]([C@@H]1O)C(=O)O)N=O
InChI
InChI=1S/C5H8N2O4/c8-3-1-2-7(6-11)4(3)5(9)10/h3-4,8H,1-2H2,(H,9,10)/t3-,4+/m1/s1
InChIKey
PASVUGWBJVWZHJ-DMTCNVIQSA-N
Compound name
(2S,3R)-3-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.0484 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.055676 128.8
[M+Na]+ 183.037618 136.2
[M-H]- 159.041124 130.0
[M+NH4]+ 178.082223 148.9
[M+K]+ 199.011558 136.2
[M+H-H2O]+ 143.045660 123.0
[M+HCOO]- 205.046601 150.8
[M+CH3COO]- 219.062251 174.7
[M+Na-2H]- 181.023066 132.2
[M]+ 160.04785142 127.3
[M]- 160.04894858 127.3
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.