CID 107959

N-(n-acetyl-l-prolyl)-n-nitrosoglycine

Structural Information

Molecular Formula
C9H13N3O5
SMILES
CC(=O)N1CCC[C@H]1C(=O)N(CC(=O)O)N=O
InChI
InChI=1S/C9H13N3O5/c1-6(13)11-4-2-3-7(11)9(16)12(10-17)5-8(14)15/h7H,2-5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKey
HWWIYXKSCZCMFV-ZETCQYMHSA-N
Compound name
2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]-nitrosoamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

258
Patents

243.08553 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09281 150.5
[M+Na]+ 266.07475 155.1
[M-H]- 242.07825 153.9
[M+NH4]+ 261.11935 167.7
[M+K]+ 282.04869 156.9
[M+H-H2O]+ 226.08279 143.3
[M+HCOO]- 288.08373 173.0
[M+CH3COO]- 302.09938 197.7
[M+Na-2H]- 264.06020 150.8
[M]+ 243.08498 151.2
[M]- 243.08608 151.2
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