CID 32469

(3-(2-mercaptoethylamino)propyl)oxamide hydrochloride

Structural Information

Molecular Formula
C7H15N3O2S
SMILES
C(CNCCS)CNC(=O)C(=O)N
InChI
InChI=1S/C7H15N3O2S/c8-6(11)7(12)10-3-1-2-9-4-5-13/h9,13H,1-5H2,(H2,8,11)(H,10,12)
InChIKey
PQIPALRWBBGKME-UHFFFAOYSA-N
Compound name
N'-[3-(2-sulfanylethylamino)propyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0885 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09578 145.6
[M+Na]+ 228.07772 149.5
[M-H]- 204.08122 144.8
[M+NH4]+ 223.12232 163.4
[M+K]+ 244.05166 147.8
[M+H-H2O]+ 188.08576 138.7
[M+HCOO]- 250.08670 164.3
[M+CH3COO]- 264.10235 190.8
[M+Na-2H]- 226.06317 146.3
[M]+ 205.08795 145.5
[M]- 205.08905 145.5
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

No patent data available for this compound.