CID 80738

2-(o-tolylazo)-p-cresol

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC=CC=C2C
InChI
InChI=1S/C14H14N2O/c1-10-7-8-14(17)13(9-10)16-15-12-6-4-3-5-11(12)2/h3-9,17H,1-2H3
InChIKey
GUOVYFDMGDEHNM-UHFFFAOYSA-N
Compound name
4-methyl-2-[(2-methylphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

89
Patents

226.11061 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 149.5
[M+Na]+ 249.09983 158.0
[M-H]- 225.10333 158.3
[M+NH4]+ 244.14443 168.1
[M+K]+ 265.07377 154.9
[M+H-H2O]+ 209.10787 141.7
[M+HCOO]- 271.10881 177.9
[M+CH3COO]- 285.12446 198.4
[M+Na-2H]- 247.08528 156.6
[M]+ 226.11006 150.8
[M]- 226.11116 150.8
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