CID 10419304

N-nitroso-l-proline

Structural Information

Molecular Formula
C5H8N2O3
SMILES
C1C[C@H](N(C1)N=O)C(=O)O
InChI
InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKey
WLKPHJWEIIAIFW-BYPYZUCNSA-N
Compound name
(2S)-1-nitrosopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

140
References

447
Patents

144.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06078 126.1
[M+Na]+ 167.04272 133.2
[M-H]- 143.04622 128.4
[M+NH4]+ 162.08732 147.4
[M+K]+ 183.01666 133.6
[M+H-H2O]+ 127.05076 120.0
[M+HCOO]- 189.05170 149.5
[M+CH3COO]- 203.06735 173.8
[M+Na-2H]- 165.02817 130.6
[M]+ 144.05295 124.7
[M]- 144.05405 124.7
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