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]+ 172.079076 143.4
[M+Na]+ 194.061018 151.8
[M-H]- 170.064524 143.8
[M+NH4]+ 189.105623 162.0
[M+K]+ 210.034958 150.4
[M+H-H2O]+ 154.069060 132.7
[M+HCOO]- 216.070001 154.9
[M+CH3COO]- 230.085651 189.8
[M+Na-2H]- 192.046466 144.9
[M]+ 171.07125142 140.1
[M]- 171.07234858 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.