CID 3051486

67465-99-0

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

1
Patents

157.05614 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 140.0
[M+Na]+ 180.045358 148.7
[M-H]- 156.048864 140.0
[M+NH4]+ 175.089963 158.8
[M+K]+ 196.019298 147.2
[M+H-H2O]+ 140.053400 129.4
[M+HCOO]- 202.054341 151.2
[M+CH3COO]- 216.069991 187.0
[M+Na-2H]- 178.030806 140.9
[M]+ 157.05559142 135.5
[M]- 157.05668858 135.5
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

patents stripe