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]+ 188.11037 144.2
[M+Na]+ 210.09231 150.1
[M-H]- 186.09581 144.4
[M+NH4]+ 205.13691 164.4
[M+K]+ 226.06625 147.9
[M+H-H2O]+ 170.10035 139.1
[M+HCOO]- 232.10129 160.5
[M+CH3COO]- 246.11694 184.7
[M+Na-2H]- 208.07776 146.0
[M]+ 187.10254 146.5
[M]- 187.10364 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.