CID 23372

6940-79-0

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C(CS)NCC(=O)O
InChI
InChI=1S/C4H9NO2S/c6-4(7)3-5-1-2-8/h5,8H,1-3H2,(H,6,7)
InChIKey
IAICFWDJMWEXAO-UHFFFAOYSA-N
Compound name
2-(2-sulfanylethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

428
Patents

135.0354 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 125.9
[M+Na]+ 158.024618 132.5
[M-H]- 134.028124 125.1
[M+NH4]+ 153.069223 147.1
[M+K]+ 173.998558 131.2
[M+H-H2O]+ 118.032660 121.0
[M+HCOO]- 180.033601 143.8
[M+CH3COO]- 194.049251 171.0
[M+Na-2H]- 156.010066 129.0
[M]+ 135.03485142 127.2
[M]- 135.03594858 127.2
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