CID 13362142

2-amino-n-(2,2,4,4-tetramethylthietan-3-yl)propanamide

Structural Information

Molecular Formula
C10H20N2OS
SMILES
CC(C(=O)NC1C(SC1(C)C)(C)C)N
InChI
InChI=1S/C10H20N2OS/c1-6(11)7(13)12-8-9(2,3)14-10(8,4)5/h6,8H,11H2,1-5H3,(H,12,13)
InChIKey
VAVRZFPMKSCTDL-UHFFFAOYSA-N
Compound name
2-amino-N-(2,2,4,4-tetramethylthietan-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12964 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.136916 152.7
[M+Na]+ 239.118858 156.3
[M-H]- 215.122364 155.3
[M+NH4]+ 234.163463 168.0
[M+K]+ 255.092798 158.0
[M+H-H2O]+ 199.126900 143.1
[M+HCOO]- 261.127841 166.7
[M+CH3COO]- 275.143491 196.8
[M+Na-2H]- 237.104306 152.2
[M]+ 216.12909142 161.0
[M]- 216.13018858 161.0
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

No patent data available for this compound.