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

226
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 126.3
[M+Na]+ 158.02462 132.8
[M-H]- 134.02812 124.8
[M+NH4]+ 153.06922 147.1
[M+K]+ 173.99856 131.2
[M+H-H2O]+ 118.03266 121.3
[M+HCOO]- 180.03360 143.5
[M+CH3COO]- 194.04925 170.4
[M+Na-2H]- 156.01007 128.3
[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