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
9
Annotation Hits

21531
References

82693
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 126.9
[M+Na]+ 158.02462 133.1
[M-H]- 134.02812 125.5
[M+NH4]+ 153.06922 147.7
[M+K]+ 173.99856 132.0
[M+H-H2O]+ 118.03266 122.0
[M+HCOO]- 180.03360 143.1
[M+CH3COO]- 194.04925 171.2
[M+Na-2H]- 156.01007 127.7
[M]+ 135.03485 126.5
[M]- 135.03595 126.5
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