CID 3051482

N,2-dimethyl-2-(2-propynylthio)propionamide

Structural Information

Molecular Formula
C8H13NOS
SMILES
CC(C)(C(=O)NC)SCC#C
InChI
InChI=1S/C8H13NOS/c1-5-6-11-8(2,3)7(10)9-4/h1H,6H2,2-4H3,(H,9,10)
InChIKey
FBRRSERASPUMKH-UHFFFAOYSA-N
Compound name
N,2-dimethyl-2-prop-2-ynylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0718 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07908 143.4
[M+Na]+ 194.06102 151.8
[M-H]- 170.06452 143.8
[M+NH4]+ 189.10562 162.0
[M+K]+ 210.03496 150.4
[M+H-H2O]+ 154.06906 132.7
[M+HCOO]- 216.07000 154.9
[M+CH3COO]- 230.08565 189.8
[M+Na-2H]- 192.04647 144.9
[M]+ 171.07125 140.1
[M]- 171.07235 140.1
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.