CID 14417342

Brn 4244376

Structural Information

Molecular Formula
C8H13NOS2
SMILES
C=CCSC(=S)NCCOC=C
InChI
InChI=1S/C8H13NOS2/c1-3-7-12-8(11)9-5-6-10-4-2/h3-4H,1-2,5-7H2,(H,9,11)
InChIKey
FFARWTWTPSXQNO-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(2-ethenoxyethyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05113 146.3
[M+Na]+ 226.03307 153.9
[M+NH4]+ 221.07767 153.7
[M+K]+ 242.00701 144.3
[M-H]- 202.03657 146.0
[M+Na-2H]- 224.01852 147.4
[M]+ 203.04330 147.9
[M]- 203.04440 147.9
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.