CID 4474780

2-[(2-aminoethyl)sulfanyl]acetic acid hydrochloride

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C(CSCC(=O)O)N
InChI
InChI=1S/C4H9NO2S/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)
InChIKey
HMZKKJDOCRYTTH-UHFFFAOYSA-N
Compound name
2-(2-aminoethylsulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

135.0354 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 126.7
[M+Na]+ 158.02462 134.5
[M+NH4]+ 153.06922 134.0
[M+K]+ 173.99856 128.8
[M-H]- 134.02812 125.5
[M+Na-2H]- 156.01007 128.5
[M]+ 135.03485 127.5
[M]- 135.03595 127.5
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