CID 3924669

2-({[(pyridin-2-yl)methyl]amino}methyl)phenol

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1=CC=C(C(=C1)CNCC2=CC=CC=N2)O
InChI
InChI=1S/C13H14N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-8,14,16H,9-10H2
InChIKey
QKSKEROUBXANPB-UHFFFAOYSA-N
Compound name
2-[(pyridin-2-ylmethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

214.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 146.7
[M+Na]+ 237.09983 153.4
[M-H]- 213.10333 150.6
[M+NH4]+ 232.14443 162.8
[M+K]+ 253.07377 149.1
[M+H-H2O]+ 197.10787 138.6
[M+HCOO]- 259.10881 169.9
[M+CH3COO]- 273.12446 187.1
[M+Na-2H]- 235.08528 154.8
[M]+ 214.11006 145.2
[M]- 214.11116 145.2
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