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 153.9
[M+Na]+ 252.13589 160.1
[M-H]- 228.13939 156.4
[M+NH4]+ 247.18049 171.8
[M+K]+ 268.10983 156.6
[M+H-H2O]+ 212.14393 146.9
[M+HCOO]- 274.14487 170.7
[M+CH3COO]- 288.16052 193.1
[M+Na-2H]- 250.12134 156.4
[M]+ 229.14612 151.7
[M]- 229.14722 151.7
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