CID 13120934

1-phenyl-2-(pyridin-3-yl)propan-2-ol

Structural Information

Molecular Formula
C14H15NO
SMILES
CC(CC1=CC=CC=C1)(C2=CN=CC=C2)O
InChI
InChI=1S/C14H15NO/c1-14(16,13-8-5-9-15-11-13)10-12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3
InChIKey
OXSXKZBTKAZGAI-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyridin-3-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 148.4
[M+Na]+ 236.10459 155.1
[M-H]- 212.10809 152.2
[M+NH4]+ 231.14919 164.7
[M+K]+ 252.07853 151.0
[M+H-H2O]+ 196.11263 140.9
[M+HCOO]- 258.11357 168.6
[M+CH3COO]- 272.12922 184.5
[M+Na-2H]- 234.09004 156.8
[M]+ 213.11482 147.1
[M]- 213.11592 147.1
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