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

61
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

literature stripe

Patent stripe

patents stripe