CID 3038138

Carbazic acid, 3,3-diisopropyldithio-, sodium salt, hydrate (2:2:1)

Structural Information

Molecular Formula
C7H16N2S2
SMILES
CC(C)N(C(C)C)NC(=S)S
InChI
InChI=1S/C7H16N2S2/c1-5(2)9(6(3)4)8-7(10)11/h5-6H,1-4H3,(H2,8,10,11)
InChIKey
MEJOTKVAZISHQO-UHFFFAOYSA-N
Compound name
[di(propan-2-yl)amino]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08277 141.8
[M+Na]+ 215.06471 146.1
[M-H]- 191.06821 142.9
[M+NH4]+ 210.10931 161.5
[M+K]+ 231.03865 144.6
[M+H-H2O]+ 175.07275 135.3
[M+HCOO]- 237.07369 152.5
[M+CH3COO]- 251.08934 192.9
[M+Na-2H]- 213.05016 139.3
[M]+ 192.07494 142.9
[M]- 192.07604 142.9
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.