CID 61873

30310-80-6

Structural Information

Molecular Formula
C5H8N2O4
SMILES
C1[C@H](CN([C@@H]1C(=O)O)N=O)O
InChI
InChI=1S/C5H8N2O4/c8-3-1-4(5(9)10)7(2-3)6-11/h3-4,8H,1-2H2,(H,9,10)/t3-,4+/m1/s1
InChIKey
ABVBOWJCKJGCJM-DMTCNVIQSA-N
Compound name
(2S,4R)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

6
Patents

160.0484 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05568 128.8
[M+Na]+ 183.03762 136.2
[M-H]- 159.04112 130.0
[M+NH4]+ 178.08222 148.9
[M+K]+ 199.01156 136.2
[M+H-H2O]+ 143.04566 123.0
[M+HCOO]- 205.04660 150.8
[M+CH3COO]- 219.06225 174.7
[M+Na-2H]- 181.02307 132.2
[M]+ 160.04785 127.3
[M]- 160.04895 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.