CID 6448119

Chr 5

Structural Information

Molecular Formula
C15H19NO
SMILES
C/C=C(\C)/C(=O)N1CCCC2=C1C=CC(=C2)C
InChI
InChI=1S/C15H19NO/c1-4-12(3)15(17)16-9-5-6-13-10-11(2)7-8-14(13)16/h4,7-8,10H,5-6,9H2,1-3H3/b12-4+
InChIKey
KPPVNWGJXFMGAM-UUILKARUSA-N
Compound name
(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

229.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 154.5
[M+Na]+ 252.13589 166.9
[M+NH4]+ 247.18049 162.9
[M+K]+ 268.10983 159.9
[M-H]- 228.13939 156.4
[M+Na-2H]- 250.12134 159.2
[M]+ 229.14612 156.7
[M]- 229.14722 156.7
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