CID 3051486

2-methyl-2-(2-propynylthio)propionamide

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC(C)(C(=O)N)SCC#C
InChI
InChI=1S/C7H11NOS/c1-4-5-10-7(2,3)6(8)9/h1H,5H2,2-3H3,(H2,8,9)
InChIKey
BBSFEFNOJNSEQM-UHFFFAOYSA-N
Compound name
2-methyl-2-prop-2-ynylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.05614 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 131.3
[M+Na]+ 180.04536 139.6
[M+NH4]+ 175.08996 135.4
[M+K]+ 196.01930 131.2
[M-H]- 156.04886 122.8
[M+Na-2H]- 178.03081 131.3
[M]+ 157.05559 129.5
[M]- 157.05669 129.5
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.