CID 43616249

1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C12H13NO
SMILES
C=CC(=O)N1CCCC2=CC=CC=C21
InChI
InChI=1S/C12H13NO/c1-2-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8H,1,5,7,9H2
InChIKey
JYOFGCWMMXFROS-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 140.3
[M+Na]+ 210.088938 147.1
[M-H]- 186.092444 142.8
[M+NH4]+ 205.133543 159.6
[M+K]+ 226.062878 143.7
[M+H-H2O]+ 170.096980 133.4
[M+HCOO]- 232.097921 159.2
[M+CH3COO]- 246.113571 182.7
[M+Na-2H]- 208.074386 146.3
[M]+ 187.09917142 137.3
[M]- 187.10026858 137.3
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