CID 506615

2-(nicotinylamino)phenol

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC=C(C(=C1)NCC2=CN=CC=C2)O
InChI
InChI=1S/C12H12N2O/c15-12-6-2-1-5-11(12)14-9-10-4-3-7-13-8-10/h1-8,14-15H,9H2
InChIKey
RFRKSBVKAXQXLQ-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.