CID 3079838

Brn 3547705

Structural Information

Molecular Formula
C12H15NOS2
SMILES
C=COCCNC(=S)SCC1=CC=CC=C1
InChI
InChI=1S/C12H15NOS2/c1-2-14-9-8-13-12(15)16-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,13,15)
InChIKey
FBTFQGIBSVBBIQ-UHFFFAOYSA-N
Compound name
benzyl N-(2-ethenoxyethyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05951 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06679 155.0
[M+Na]+ 276.04873 164.9
[M+NH4]+ 271.09333 163.4
[M+K]+ 292.02267 154.0
[M-H]- 252.05223 157.6
[M+Na-2H]- 274.03418 159.9
[M]+ 253.05896 157.9
[M]- 253.06006 157.9
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.