CID 22631080

(2e)-3-(quinolin-6-yl)prop-2-en-1-ol

Structural Information

Molecular Formula
C12H11NO
SMILES
C1=CC2=C(C=CC(=C2)/C=C/CO)N=C1
InChI
InChI=1S/C12H11NO/c14-8-2-3-10-5-6-12-11(9-10)4-1-7-13-12/h1-7,9,14H,8H2/b3-2+
InChIKey
RNYBQNZCYAESLM-NSCUHMNNSA-N
Compound name
(E)-3-quinolin-6-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

185.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.091336 138.8
[M+Na]+ 208.073278 147.3
[M-H]- 184.076784 140.6
[M+NH4]+ 203.117883 157.8
[M+K]+ 224.047218 142.7
[M+H-H2O]+ 168.081320 132.1
[M+HCOO]- 230.082261 159.9
[M+CH3COO]- 244.097911 179.4
[M+Na-2H]- 206.058726 147.6
[M]+ 185.08351142 138.2
[M]- 185.08460858 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

No literature data available for this compound.

Patent stripe

patents stripe