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

449
Patents

135.0354 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 125.9
[M+Na]+ 158.02462 132.5
[M-H]- 134.02812 125.1
[M+NH4]+ 153.06922 147.1
[M+K]+ 173.99856 131.2
[M+H-H2O]+ 118.03266 121.0
[M+HCOO]- 180.03360 143.8
[M+CH3COO]- 194.04925 171.0
[M+Na-2H]- 156.01007 129.0
[M]+ 135.03485 127.2
[M]- 135.03595 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