CID 4114014

14674-88-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

24
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 146.9
[M+Na]+ 236.10459 154.1
[M-H]- 212.10809 152.6
[M+NH4]+ 231.14919 164.7
[M+K]+ 252.07853 149.8
[M+H-H2O]+ 196.11263 139.9
[M+HCOO]- 258.11357 171.1
[M+CH3COO]- 272.12922 188.6
[M+Na-2H]- 234.09004 153.5
[M]+ 213.11482 145.7
[M]- 213.11592 145.7
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