CID 2835201

4497-59-0

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1CC(N(C2=CC=CC=C12)C(=O)C)(C)C
InChI
InChI=1S/C14H19NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-8,10H,9H2,1-4H3
InChIKey
DICCKTLYSLKYNN-UHFFFAOYSA-N
Compound name
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

217.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 149.2
[M+Na]+ 240.135888 157.8
[M-H]- 216.139394 152.6
[M+NH4]+ 235.180493 170.2
[M+K]+ 256.109828 154.9
[M+H-H2O]+ 200.143930 143.1
[M+HCOO]- 262.144871 167.2
[M+CH3COO]- 276.160521 191.5
[M+Na-2H]- 238.121336 153.9
[M]+ 217.14612142 148.8
[M]- 217.14721858 148.8
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