CID 3032913

34523-95-0

Structural Information

Molecular Formula
C19H41N2OS
SMILES
CCCCCCCCCCCC[N+](C)(C)CCOC(=S)NCC
InChI
InChI=1S/C19H40N2OS/c1-5-7-8-9-10-11-12-13-14-15-16-21(3,4)17-18-22-19(23)20-6-2/h5-18H2,1-4H3/p+1
InChIKey
GFQUNGCMRHVLSQ-UHFFFAOYSA-O
Compound name
dodecyl-[2-(ethylcarbamothioyloxy)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.29395 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.30123 188.1
[M+Na]+ 368.28317 188.9
[M-H]- 344.28667 187.8
[M+NH4]+ 363.32777 202.3
[M+K]+ 384.25711 180.0
[M+H-H2O]+ 328.29121 183.2
[M+HCOO]- 390.29215 203.1
[M+CH3COO]- 404.30780 216.4
[M+Na-2H]- 366.26862 188.7
[M]+ 345.29340 193.9
[M]- 345.29450 193.9
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.