CID 3009117

185558-28-5

Structural Information

Molecular Formula
C11H13NO2S2
SMILES
CC(CO)(CO)N=C1C2=CC=CC=C2SS1
InChI
InChI=1S/C11H13NO2S2/c1-11(6-13,7-14)12-10-8-4-2-3-5-9(8)15-16-10/h2-5,13-14H,6-7H2,1H3
InChIKey
GMMDJQXPOOCCPB-UHFFFAOYSA-N
Compound name
2-(1,2-benzodithiol-3-ylideneamino)-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03877 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04605 153.8
[M+Na]+ 278.02799 163.5
[M-H]- 254.03149 157.4
[M+NH4]+ 273.07259 173.9
[M+K]+ 294.00193 158.0
[M+H-H2O]+ 238.03603 149.1
[M+HCOO]- 300.03697 167.6
[M+CH3COO]- 314.05262 189.4
[M+Na-2H]- 276.01344 158.2
[M]+ 255.03822 158.3
[M]- 255.03932 158.3
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.