CID 3035701

L-homocysteine, nitrite (ester)

Structural Information

Molecular Formula
C4H8N2O3S
SMILES
C(CS)[C@@H](C(=O)ON=O)N
InChI
InChI=1S/C4H8N2O3S/c5-3(1-2-10)4(7)9-6-8/h3,10H,1-2,5H2/t3-/m0/s1
InChIKey
MSECJJDPRYTQLG-VKHMYHEASA-N
Compound name
nitroso (2S)-2-amino-4-sulfanylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

0
Patents

164.02556 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03284 131.7
[M+Na]+ 187.01478 138.1
[M-H]- 163.01828 133.1
[M+NH4]+ 182.05938 152.3
[M+K]+ 202.98872 138.6
[M+H-H2O]+ 147.02282 125.6
[M+HCOO]- 209.02376 152.3
[M+CH3COO]- 223.03941 181.8
[M+Na-2H]- 185.00023 134.0
[M]+ 164.02501 134.9
[M]- 164.02611 134.9
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.