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

87
Patents

148.06703 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.074306 130.9
[M+Na]+ 171.056248 136.7
[M-H]- 147.059754 130.6
[M+NH4]+ 166.100853 151.7
[M+K]+ 187.030188 135.2
[M+H-H2O]+ 131.064290 125.1
[M+HCOO]- 193.065231 150.0
[M+CH3COO]- 207.080881 178.2
[M+Na-2H]- 169.041696 133.2
[M]+ 148.06648142 131.0
[M]- 148.06757858 131.0
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