CID 95810

Propionamide, 2-(allylthio)-2-methyl-

Structural Information

Molecular Formula
C7H13NOS
SMILES
CC(C)(C(=O)N)SCC=C
InChI
InChI=1S/C7H13NOS/c1-4-5-10-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H2,8,9)
InChIKey
NQEAWPKKPXTLGE-UHFFFAOYSA-N
Compound name
2-methyl-2-prop-2-enylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0718 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 135.3
[M+Na]+ 182.06102 141.8
[M-H]- 158.06452 135.2
[M+NH4]+ 177.10562 156.1
[M+K]+ 198.03496 139.8
[M+H-H2O]+ 142.06906 130.5
[M+HCOO]- 204.07000 151.6
[M+CH3COO]- 218.08565 179.3
[M+Na-2H]- 180.04647 137.0
[M]+ 159.07125 136.0
[M]- 159.07235 136.0
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.