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]+ 188.106996 140.8
[M+Na]+ 210.088938 149.4
[M-H]- 186.092444 142.9
[M+NH4]+ 205.133543 159.9
[M+K]+ 226.062878 145.8
[M+H-H2O]+ 170.096980 134.7
[M+HCOO]- 232.097921 160.1
[M+CH3COO]- 246.113571 181.3
[M+Na-2H]- 208.074386 150.2
[M]+ 187.09917142 140.6
[M]- 187.10026858 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.