CID 6479255

(e)-3-(quinolin-2-yl)prop-2-en-1-ol

Structural Information

Molecular Formula
C12H11NO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/CO
InChI
InChI=1S/C12H11NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-8,14H,9H2/b5-3+
InChIKey
HZSMCZGYICFQLI-HWKANZROSA-N
Compound name
(E)-3-quinolin-2-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

185.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 138.8
[M+Na]+ 208.07328 147.3
[M-H]- 184.07678 140.6
[M+NH4]+ 203.11788 157.8
[M+K]+ 224.04722 142.7
[M+H-H2O]+ 168.08132 132.1
[M+HCOO]- 230.08226 159.9
[M+CH3COO]- 244.09791 179.4
[M+Na-2H]- 206.05873 147.6
[M]+ 185.08351 138.2
[M]- 185.08461 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe