CID 218150

40283-51-0

Structural Information

Molecular Formula
C7H16N2O3S2
SMILES
CC(C)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C7H16N2O3S2/c1-6(2)3-4-9-7(8)5-13-14(10,11)12/h6H,3-5H2,1-2H3,(H2,8,9)(H,10,11,12)
InChIKey
JSSDFKSULXLETE-UHFFFAOYSA-N
Compound name
1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06024 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06752 151.8
[M+Na]+ 263.04946 156.3
[M-H]- 239.05296 150.4
[M+NH4]+ 258.09406 168.3
[M+K]+ 279.02340 152.8
[M+H-H2O]+ 223.05750 145.2
[M+HCOO]- 285.05844 162.2
[M+CH3COO]- 299.07409 192.6
[M+Na-2H]- 261.03491 151.2
[M]+ 240.05969 153.3
[M]- 240.06079 153.3
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.