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

2
Patents

187.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 140.3
[M+Na]+ 210.08894 147.1
[M-H]- 186.09244 142.8
[M+NH4]+ 205.13354 159.6
[M+K]+ 226.06288 143.7
[M+H-H2O]+ 170.09698 133.4
[M+HCOO]- 232.09792 159.2
[M+CH3COO]- 246.11357 182.7
[M+Na-2H]- 208.07439 146.3
[M]+ 187.09917 137.3
[M]- 187.10027 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