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 140.0
[M+Na]+ 180.04536 148.7
[M-H]- 156.04886 140.0
[M+NH4]+ 175.08996 158.8
[M+K]+ 196.01930 147.2
[M+H-H2O]+ 140.05340 129.4
[M+HCOO]- 202.05434 151.2
[M+CH3COO]- 216.06999 187.0
[M+Na-2H]- 178.03081 140.9
[M]+ 157.05559 135.5
[M]- 157.05669 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