CID 104192

52416-14-5

Structural Information

Molecular Formula
C9H13N3S
SMILES
CN(C)N=NC1=CC(=CC=C1)SC
InChI
InChI=1S/C9H13N3S/c1-12(2)11-10-8-5-4-6-9(7-8)13-3/h4-7H,1-3H3
InChIKey
CWWODDIXPTUZOV-UHFFFAOYSA-N
Compound name
N-methyl-N-[(3-methylsulfanylphenyl)diazenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08302 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 140.8
[M+Na]+ 218.07224 148.1
[M-H]- 194.07574 148.9
[M+NH4]+ 213.11684 162.1
[M+K]+ 234.04618 147.4
[M+H-H2O]+ 178.08028 133.1
[M+HCOO]- 240.08122 166.4
[M+CH3COO]- 254.09687 198.1
[M+Na-2H]- 216.05769 146.2
[M]+ 195.08247 145.1
[M]- 195.08357 145.1
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.