CID 2731177

Alpha-methyl-alpha-(3-pyridylmethylimino)-o-cresol

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC(=NCC1=CN=CC=C1)C2=CC=CC=C2O
InChI
InChI=1S/C14H14N2O/c1-11(13-6-2-3-7-14(13)17)16-10-12-5-4-8-15-9-12/h2-9,17H,10H2,1H3
InChIKey
QDFCFXZCZJZGFX-UHFFFAOYSA-N
Compound name
2-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.8
[M+Na]+ 249.099828 157.6
[M-H]- 225.103334 156.1
[M+NH4]+ 244.144433 167.0
[M+K]+ 265.073768 153.8
[M+H-H2O]+ 209.107870 142.4
[M+HCOO]- 271.108811 174.4
[M+CH3COO]- 285.124461 192.0
[M+Na-2H]- 247.085276 157.5
[M]+ 226.11006142 150.1
[M]- 226.11115858 150.1
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.