CID 56604357

[3-(5-methylpyridin-2-yl)phenyl]methanol hydrochloride

Structural Information

Molecular Formula
C13H13NO
SMILES
CC1=CN=C(C=C1)C2=CC=CC(=C2)CO
InChI
InChI=1S/C13H13NO/c1-10-5-6-13(14-8-10)12-4-2-3-11(7-12)9-15/h2-8,15H,9H2,1H3
InChIKey
ZJBWWRCBAGZIMY-UHFFFAOYSA-N
Compound name
[3-(5-methylpyridin-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

199.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 143.0
[M+Na]+ 222.08894 151.6
[M-H]- 198.09244 147.5
[M+NH4]+ 217.13354 160.5
[M+K]+ 238.06288 147.4
[M+H-H2O]+ 182.09698 135.6
[M+HCOO]- 244.09792 165.2
[M+CH3COO]- 258.11357 183.3
[M+Na-2H]- 220.07439 149.9
[M]+ 199.09917 142.6
[M]- 199.10027 142.6
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

patents stripe