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]+ 252.114976 155.0
[M+Na]+ 274.096918 164.3
[M-H]- 250.100424 158.1
[M+NH4]+ 269.141523 175.4
[M+K]+ 290.070858 159.5
[M+H-H2O]+ 234.104960 149.5
[M+HCOO]- 296.105901 168.5
[M+CH3COO]- 310.121551 195.2
[M+Na-2H]- 272.082366 159.2
[M]+ 251.10715142 156.6
[M]- 251.10824858 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.