CID 302464

3848-15-5

Structural Information

Molecular Formula
C5H12N2O3S2
SMILES
CC(C)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C5H12N2O3S2/c1-4(2)7-5(6)3-11-12(8,9)10/h4H,3H2,1-2H3,(H2,6,7)(H,8,9,10)
InChIKey
XAEPKMYSRZWEAT-UHFFFAOYSA-N
Compound name
2-[(1-amino-2-sulfosulfanylethylidene)amino]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02893 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03621 143.4
[M+Na]+ 235.01815 148.8
[M-H]- 211.02165 142.5
[M+NH4]+ 230.06275 161.1
[M+K]+ 250.99209 145.8
[M+H-H2O]+ 195.02619 137.2
[M+HCOO]- 257.02713 154.5
[M+CH3COO]- 271.04278 186.7
[M+Na-2H]- 233.00360 143.7
[M]+ 212.02838 144.2
[M]- 212.02948 144.2
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.