CID 506617

4-(nicotinylamino)phenol

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC(=CN=C1)CNC2=CC=C(C=C2)O
InChI
InChI=1S/C12H12N2O/c15-12-5-3-11(4-6-12)14-9-10-2-1-7-13-8-10/h1-8,14-15H,9H2
InChIKey
NLPCVURSTXVCNN-UHFFFAOYSA-N
Compound name
4-(pyridin-3-ylmethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

200.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.2
[M+Na]+ 223.08418 149.4
[M-H]- 199.08768 146.3
[M+NH4]+ 218.12878 158.8
[M+K]+ 239.05812 145.2
[M+H-H2O]+ 183.09222 134.3
[M+HCOO]- 245.09316 165.8
[M+CH3COO]- 259.10881 184.1
[M+Na-2H]- 221.06963 150.8
[M]+ 200.09441 140.3
[M]- 200.09551 140.3
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