CID 12137

621-90-9

Structural Information

Molecular Formula
C13H13N3
SMILES
CNC1=CC=C(C=C1)N=NC2=CC=CC=C2
InChI
InChI=1S/C13H13N3/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey
DKOXITJAUZNAPK-UHFFFAOYSA-N
Compound name
N-methyl-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

56
Patents

211.11095 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 144.5
[M+Na]+ 234.10017 151.2
[M-H]- 210.10367 154.0
[M+NH4]+ 229.14477 163.5
[M+K]+ 250.07411 148.6
[M+H-H2O]+ 194.10821 136.0
[M+HCOO]- 256.10915 175.5
[M+CH3COO]- 270.12480 198.6
[M+Na-2H]- 232.08562 154.6
[M]+ 211.11040 144.5
[M]- 211.11150 144.5
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.