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]+ 184.063596 137.7
[M+Na]+ 206.045538 146.0
[M-H]- 182.049044 145.6
[M+NH4]+ 201.090143 159.7
[M+K]+ 222.019478 144.8
[M+H-H2O]+ 166.053580 131.3
[M+HCOO]- 228.054521 164.7
[M+CH3COO]- 242.070171 195.1
[M+Na-2H]- 204.030986 146.1
[M]+ 183.05577142 141.7
[M]- 183.05686858 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.