CID 91552

L-homocysteine

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C(CS)[C@@H](C(=O)O)N
InChI
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKey
FFFHZYDWPBMWHY-VKHMYHEASA-N
Compound name
(2S)-2-amino-4-sulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

21457
References

71255
Patents

135.0354 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 127.2
[M+Na]+ 158.02462 134.6
[M+NH4]+ 153.06922 134.4
[M+K]+ 173.99856 129.7
[M-H]- 134.02812 125.8
[M+Na-2H]- 156.01007 128.6
[M]+ 135.03485 127.8
[M]- 135.03595 127.8
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