CID 611166

3230-51-1

Structural Information

Molecular Formula
C14H13NO
SMILES
CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)O
InChI
InChI=1S/C14H13NO/c1-11-2-6-13(7-3-11)15-10-12-4-8-14(16)9-5-12/h2-10,16H,1H3
InChIKey
LXUWDLKAQOFUGU-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

211.09972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 145.7
[M+Na]+ 234.08894 153.7
[M-H]- 210.09244 152.8
[M+NH4]+ 229.13354 164.3
[M+K]+ 250.06288 149.7
[M+H-H2O]+ 194.09698 138.5
[M+HCOO]- 256.09792 171.6
[M+CH3COO]- 270.11357 189.7
[M+Na-2H]- 232.07439 152.8
[M]+ 211.09917 145.5
[M]- 211.10027 145.5
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