CID 107292

2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C12H17N
SMILES
CC1CC(NC2=CC=CC=C12)(C)C
InChI
InChI=1S/C12H17N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-7,9,13H,8H2,1-3H3
InChIKey
KSNRDYQOHXQKAB-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-3,4-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

654
Patents

175.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.5
[M+Na]+ 198.12532 147.6
[M-H]- 174.12882 141.4
[M+NH4]+ 193.16992 161.3
[M+K]+ 214.09926 143.8
[M+H-H2O]+ 158.13336 133.7
[M+HCOO]- 220.13430 157.3
[M+CH3COO]- 234.14995 180.3
[M+Na-2H]- 196.11077 146.5
[M]+ 175.13555 136.1
[M]- 175.13665 136.1
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