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]+ 217.13692 152.7
[M+Na]+ 239.11886 156.3
[M-H]- 215.12236 155.3
[M+NH4]+ 234.16346 168.0
[M+K]+ 255.09280 158.0
[M+H-H2O]+ 199.12690 143.1
[M+HCOO]- 261.12784 166.7
[M+CH3COO]- 275.14349 196.8
[M+Na-2H]- 237.10431 152.2
[M]+ 216.12909 161.0
[M]- 216.13019 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.