CID 102555144

(3-amino-4-methylphenyl)(pyridin-2-yl)methanol

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=C(C=C(C=C1)C(C2=CC=CC=N2)O)N
InChI
InChI=1S/C13H14N2O/c1-9-5-6-10(8-11(9)14)13(16)12-4-2-3-7-15-12/h2-8,13,16H,14H2,1H3
InChIKey
JGMVHZLFGANPDV-UHFFFAOYSA-N
Compound name
(3-amino-4-methylphenyl)-pyridin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 148.1
[M+Na]+ 237.09983 155.5
[M-H]- 213.10333 152.0
[M+NH4]+ 232.14443 164.2
[M+K]+ 253.07377 151.3
[M+H-H2O]+ 197.10787 140.4
[M+HCOO]- 259.10881 169.7
[M+CH3COO]- 273.12446 188.5
[M+Na-2H]- 235.08528 153.0
[M]+ 214.11006 145.4
[M]- 214.11116 145.4
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.