CID 3236648

2-{[(3-methylphenyl)amino]methyl}phenol

Structural Information

Molecular Formula
C14H15NO
SMILES
CC1=CC(=CC=C1)NCC2=CC=CC=C2O
InChI
InChI=1S/C14H15NO/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16/h2-9,15-16H,10H2,1H3
InChIKey
NBAMMAUECPRAGS-UHFFFAOYSA-N
Compound name
2-[(3-methylanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

213.11537 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 148.4
[M+Na]+ 236.10459 163.0
[M+NH4]+ 231.14919 157.8
[M+K]+ 252.07853 154.7
[M-H]- 212.10809 154.0
[M+Na-2H]- 234.09004 158.4
[M]+ 213.11482 152.2
[M]- 213.11592 152.2
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