CID 113635

Propanamide, n-(2-(hexylthio)ethyl)-

Structural Information

Molecular Formula
C11H23NOS
SMILES
CCCCCCSCCNC(=O)CC
InChI
InChI=1S/C11H23NOS/c1-3-5-6-7-9-14-10-8-12-11(13)4-2/h3-10H2,1-2H3,(H,12,13)
InChIKey
HRAXCSWZKOFQCX-UHFFFAOYSA-N
Compound name
N-(2-hexylsulfanylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

217.15004 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15732 153.5
[M+Na]+ 240.13926 157.7
[M-H]- 216.14276 152.9
[M+NH4]+ 235.18386 172.3
[M+K]+ 256.11320 155.3
[M+H-H2O]+ 200.14730 147.2
[M+HCOO]- 262.14824 170.5
[M+CH3COO]- 276.16389 192.1
[M+Na-2H]- 238.12471 153.6
[M]+ 217.14949 157.8
[M]- 217.15059 157.8
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.