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 143.1
[M+Na]+ 226.03307 149.0
[M-H]- 202.03657 142.7
[M+NH4]+ 221.07767 162.3
[M+K]+ 242.00701 144.3
[M+H-H2O]+ 186.04111 137.1
[M+HCOO]- 248.04205 155.2
[M+CH3COO]- 262.05770 185.4
[M+Na-2H]- 224.01852 142.4
[M]+ 203.04330 145.3
[M]- 203.04440 145.3
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.