CID 37977

Dimethyldithiocarbamic acid succinimidomethyl ester

Structural Information

Molecular Formula
C8H12N2O2S2
SMILES
CN(C)C(=S)SCN1C(=O)CCC1=O
InChI
InChI=1S/C8H12N2O2S2/c1-9(2)8(13)14-5-10-6(11)3-4-7(10)12/h3-5H2,1-2H3
InChIKey
VLOXATMTKZDEDW-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl)methyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03403 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04131 150.1
[M+Na]+ 255.02325 157.6
[M-H]- 231.02675 153.6
[M+NH4]+ 250.06785 169.6
[M+K]+ 270.99719 155.1
[M+H-H2O]+ 215.03129 144.1
[M+HCOO]- 277.03223 161.6
[M+CH3COO]- 291.04788 191.7
[M+Na-2H]- 253.00870 146.7
[M]+ 232.03348 152.4
[M]- 232.03458 152.4
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.