CID 3002079

Nsc627366

Structural Information

Molecular Formula
C14H27NOS
SMILES
CCCCCCCCCCOC(=S)NCC=C
InChI
InChI=1S/C14H27NOS/c1-3-5-6-7-8-9-10-11-13-16-14(17)15-12-4-2/h4H,2-3,5-13H2,1H3,(H,15,17)
InChIKey
STIGPEOTGZPQSP-UHFFFAOYSA-N
Compound name
O-decyl N-prop-2-enylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.18134 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18862 165.6
[M+Na]+ 280.17056 168.9
[M-H]- 256.17406 164.5
[M+NH4]+ 275.21516 182.8
[M+K]+ 296.14450 165.1
[M+H-H2O]+ 240.17860 158.8
[M+HCOO]- 302.17954 181.8
[M+CH3COO]- 316.19519 199.6
[M+Na-2H]- 278.15601 164.2
[M]+ 257.18079 170.2
[M]- 257.18189 170.2
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.