CID 3079837

Brn 3538733

Structural Information

Molecular Formula
C9H17NOS2
SMILES
CC(C)CSC(=S)NCCOC=C
InChI
InChI=1S/C9H17NOS2/c1-4-11-6-5-10-9(12)13-7-8(2)3/h4,8H,1,5-7H2,2-3H3,(H,10,12)
InChIKey
MTPNERFIILSNDI-UHFFFAOYSA-N
Compound name
2-methylpropyl N-(2-ethenoxyethyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.07515 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08243 148.7
[M+Na]+ 242.06437 153.5
[M-H]- 218.06787 148.1
[M+NH4]+ 237.10897 167.2
[M+K]+ 258.03831 149.7
[M+H-H2O]+ 202.07241 142.5
[M+HCOO]- 264.07335 159.2
[M+CH3COO]- 278.08900 190.1
[M+Na-2H]- 240.04982 146.6
[M]+ 219.07460 151.4
[M]- 219.07570 151.4
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.