CID 48221

Brn 2357378

Structural Information

Molecular Formula
C11H21NOS
SMILES
CCC(CC)(C(=O)NCC=C)SCC
InChI
InChI=1S/C11H21NOS/c1-5-9-12-10(13)11(6-2,7-3)14-8-4/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKey
OGYGIYVCVBZFOR-UHFFFAOYSA-N
Compound name
2-ethyl-2-ethylsulfanyl-N-prop-2-enylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13438 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14166 152.9
[M+Na]+ 238.12360 157.8
[M-H]- 214.12710 152.6
[M+NH4]+ 233.16820 171.8
[M+K]+ 254.09754 155.1
[M+H-H2O]+ 198.13164 147.3
[M+HCOO]- 260.13258 168.5
[M+CH3COO]- 274.14823 191.5
[M+Na-2H]- 236.10905 153.7
[M]+ 215.13383 156.0
[M]- 215.13493 156.0
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.