CID 81216692

2-(quinolin-5-yl)propan-2-ol

Structural Information

Molecular Formula
C12H13NO
SMILES
CC(C)(C1=C2C=CC=NC2=CC=C1)O
InChI
InChI=1S/C12H13NO/c1-12(2,14)10-6-3-7-11-9(10)5-4-8-13-11/h3-8,14H,1-2H3
InChIKey
UJKWRVAJIQLQAF-UHFFFAOYSA-N
Compound name
2-quinolin-5-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 140.8
[M+Na]+ 210.08894 149.4
[M-H]- 186.09244 142.9
[M+NH4]+ 205.13354 159.9
[M+K]+ 226.06288 145.8
[M+H-H2O]+ 170.09698 134.7
[M+HCOO]- 232.09792 160.1
[M+CH3COO]- 246.11357 181.3
[M+Na-2H]- 208.07439 150.2
[M]+ 187.09917 140.6
[M]- 187.10027 140.6
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

No patent data available for this compound.