CID 5809019

Propionamide, 2-(2-butenyl)thio-n,2-dimethyl-

Structural Information

Molecular Formula
C9H17NOS
SMILES
C/C=C/CSC(C)(C)C(=O)NC
InChI
InChI=1S/C9H17NOS/c1-5-6-7-12-9(2,3)8(11)10-4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+
InChIKey
IDYGRQQUWYMRTA-AATRIKPKSA-N
Compound name
2-[(E)-but-2-enyl]sulfanyl-N,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.10309 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.110366 144.2
[M+Na]+ 210.092308 150.1
[M-H]- 186.095814 144.4
[M+NH4]+ 205.136913 164.4
[M+K]+ 226.066248 147.9
[M+H-H2O]+ 170.100350 139.1
[M+HCOO]- 232.101291 160.5
[M+CH3COO]- 246.116941 184.7
[M+Na-2H]- 208.077756 146.0
[M]+ 187.10254142 146.5
[M]- 187.10363858 146.5
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.