CID 59225

102107-40-4

Structural Information

Molecular Formula
C9H17N3S2
SMILES
CNC1=C(C(=NC)SS1)CCN(C)C
InChI
InChI=1S/C9H17N3S2/c1-10-8-7(5-6-12(3)4)9(11-2)14-13-8/h10H,5-6H2,1-4H3
InChIKey
KBMLDKRHQCULEI-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethyl]-N-methyl-5-methyliminodithiol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09368 149.5
[M+Na]+ 254.07562 157.2
[M-H]- 230.07912 155.8
[M+NH4]+ 249.12022 170.7
[M+K]+ 270.04956 154.1
[M+H-H2O]+ 214.08366 142.3
[M+HCOO]- 276.08460 167.9
[M+CH3COO]- 290.10025 201.2
[M+Na-2H]- 252.06107 149.6
[M]+ 231.08585 153.7
[M]- 231.08695 153.7
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.