CID 6479252

201928-74-7

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C=O
InChI
InChI=1S/C12H9NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-9H/b5-3+
InChIKey
DIEFKJUFJHCQEE-HWKANZROSA-N
Compound name
(E)-3-quinolin-2-ylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

183.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 137.0
[M+Na]+ 206.05764 146.2
[M-H]- 182.06114 140.2
[M+NH4]+ 201.10224 156.7
[M+K]+ 222.03158 142.0
[M+H-H2O]+ 166.06568 130.1
[M+HCOO]- 228.06662 159.9
[M+CH3COO]- 242.08227 181.2
[M+Na-2H]- 204.04309 146.3
[M]+ 183.06787 137.6
[M]- 183.06897 137.6
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