CID 120722

539-83-3

Structural Information

Molecular Formula
C5H12N2OS
SMILES
C(CN)C(=O)NCCS
InChI
InChI=1S/C5H12N2OS/c6-2-1-5(8)7-3-4-9/h9H,1-4,6H2,(H,7,8)
InChIKey
NMTZPYLSXWGDPW-UHFFFAOYSA-N
Compound name
3-amino-N-(2-sulfanylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

148.06703 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07431 131.4
[M+Na]+ 171.05625 138.7
[M+NH4]+ 166.10085 139.0
[M+K]+ 187.03019 132.4
[M-H]- 147.05975 131.5
[M+Na-2H]- 169.04170 133.8
[M]+ 148.06648 132.5
[M]- 148.06758 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe