CID 88425

20241-05-8

Structural Information

Molecular Formula
C8H10ClN3
SMILES
CN(C)N=NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H10ClN3/c1-12(2)11-10-8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
XJRXTTURVBVZRR-UHFFFAOYSA-N
Compound name
N-[(3-chlorophenyl)diazenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

183.05632 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 137.7
[M+Na]+ 206.04554 146.0
[M-H]- 182.04904 145.6
[M+NH4]+ 201.09014 159.7
[M+K]+ 222.01948 144.8
[M+H-H2O]+ 166.05358 131.3
[M+HCOO]- 228.05452 164.7
[M+CH3COO]- 242.07017 195.1
[M+Na-2H]- 204.03099 146.1
[M]+ 183.05577 141.7
[M]- 183.05687 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.