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

22
Patents

160.0484 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05568 130.0
[M+Na]+ 183.03762 136.1
[M-H]- 159.04112 130.9
[M+NH4]+ 178.08222 149.4
[M+K]+ 199.01156 131.9
[M+H-H2O]+ 143.04566 129.0
[M+HCOO]- 205.04660 151.7
[M+CH3COO]- 219.06225 166.1
[M+Na-2H]- 181.02307 135.2
[M]+ 160.04785 125.4
[M]- 160.04895 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.