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

8
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

literature stripe

Patent stripe

patents stripe