CID 7637

4-(benzylamino)phenol

Structural Information

Molecular Formula
C13H13NO
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)O
InChI
InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKey
SRYYOKKLTBRLHT-UHFFFAOYSA-N
Compound name
4-(benzylamino)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1657
Patents

199.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.2
[M+Na]+ 222.08894 148.9
[M-H]- 198.09244 147.6
[M+NH4]+ 217.13354 160.3
[M+K]+ 238.06288 144.8
[M+H-H2O]+ 182.09698 135.2
[M+HCOO]- 244.09792 166.8
[M+CH3COO]- 258.11357 184.5
[M+Na-2H]- 220.07439 150.1
[M]+ 199.09917 140.2
[M]- 199.10027 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