CID 3034999

Carbamodithioic acid, ethyl-, methyl ester

Structural Information

Molecular Formula
C4H9NS2
SMILES
CCNC(=S)SC
InChI
InChI=1S/C4H9NS2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
InChIKey
PGUWOWZKJZKUGN-UHFFFAOYSA-N
Compound name
methyl N-ethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

135.01764 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02492 124.1
[M+Na]+ 158.00686 131.3
[M-H]- 134.01036 124.5
[M+NH4]+ 153.05146 146.2
[M+K]+ 173.98080 128.5
[M+H-H2O]+ 118.01490 119.0
[M+HCOO]- 180.01584 136.8
[M+CH3COO]- 194.03149 173.5
[M+Na-2H]- 155.99231 125.1
[M]+ 135.01709 124.9
[M]- 135.01819 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe