CID 220804

2-(anilinomethyl)phenol

Structural Information

Molecular Formula
C13H13NO
SMILES
C1=CC=C(C=C1)NCC2=CC=CC=C2O
InChI
InChI=1S/C13H13NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-9,14-15H,10H2
InChIKey
RPHPKMUPELFCMC-UHFFFAOYSA-N
Compound name
2-(anilinomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

427
Patents

199.09972 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 142.2
[M+Na]+ 222.088938 148.9
[M-H]- 198.092444 147.6
[M+NH4]+ 217.133543 160.3
[M+K]+ 238.062878 144.8
[M+H-H2O]+ 182.096980 135.2
[M+HCOO]- 244.097921 166.8
[M+CH3COO]- 258.113571 184.5
[M+Na-2H]- 220.074386 150.1
[M]+ 199.09917142 140.2
[M]- 199.10026858 140.2
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