CID 3144307

1-(chloroacetyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

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 155.0
[M+Na]+ 274.09692 164.3
[M-H]- 250.10042 158.1
[M+NH4]+ 269.14152 175.4
[M+K]+ 290.07086 159.5
[M+H-H2O]+ 234.10496 149.5
[M+HCOO]- 296.10590 168.5
[M+CH3COO]- 310.12155 195.2
[M+Na-2H]- 272.08237 159.2
[M]+ 251.10715 156.6
[M]- 251.10825 156.6
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.