CID 3144307

14036-98-7

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CC1CC(N(C2=CC=CC=C12)C(=O)CCl)(C)C
InChI
InChI=1S/C14H18ClNO/c1-10-8-14(2,3)16(13(17)9-15)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3
InChIKey
YPFUVGDVQKAHTE-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1077 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 155.8
[M+Na]+ 274.09692 170.1
[M+NH4]+ 269.14152 166.4
[M+K]+ 290.07086 160.2
[M-H]- 250.10042 158.3
[M+Na-2H]- 272.08237 162.7
[M]+ 251.10715 159.1
[M]- 251.10825 159.1
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

No patent data available for this compound.