CID 9942496

S-nitroso-l-cysteinylglycine

Structural Information

Molecular Formula
C5H9N3O4S
SMILES
C([C@@H](C(=O)NCC(=O)O)N)SN=O
InChI
InChI=1S/C5H9N3O4S/c6-3(2-13-8-12)5(11)7-1-4(9)10/h3H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1
InChIKey
UOHAKHBEJRPHQZ-VKHMYHEASA-N
Compound name
2-[[(2R)-2-amino-3-nitrososulfanylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

644
Patents

207.03137 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03865 141.6
[M+Na]+ 230.02059 145.9
[M-H]- 206.02409 141.1
[M+NH4]+ 225.06519 158.8
[M+K]+ 245.99453 145.6
[M+H-H2O]+ 190.02863 134.6
[M+HCOO]- 252.02957 160.6
[M+CH3COO]- 266.04522 189.8
[M+Na-2H]- 228.00604 142.4
[M]+ 207.03082 142.3
[M]- 207.03192 142.3
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