CID 198483

64693-50-1

Structural Information

Molecular Formula
C5H8N2O4
SMILES
C1C[C@@H](N(C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C5H8N2O4/c8-5(9)4-2-1-3-6(4)7(10)11/h4H,1-3H2,(H,8,9)/t4-/m1/s1
InChIKey
CSDIOFGVLSDOSG-SCSAIBSYSA-N
Compound name
(2R)-1-nitropyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

160.0484 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.055676 130.0
[M+Na]+ 183.037618 136.1
[M-H]- 159.041124 130.9
[M+NH4]+ 178.082223 149.4
[M+K]+ 199.011558 131.9
[M+H-H2O]+ 143.045660 129.0
[M+HCOO]- 205.046601 151.7
[M+CH3COO]- 219.062251 166.1
[M+Na-2H]- 181.023066 135.2
[M]+ 160.04785142 125.4
[M]- 160.04894858 125.4
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.