CID 8981

2,2,4-trimethyl-1,2-dihydroquinoline

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=CC(NC2=CC=CC=C12)(C)C
InChI
InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
InChIKey
ZNRLMGFXSPUZNR-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

28657
Patents

173.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 137.8
[M+Na]+ 196.10967 146.9
[M-H]- 172.11317 140.0
[M+NH4]+ 191.15427 159.7
[M+K]+ 212.08361 142.9
[M+H-H2O]+ 156.11771 132.0
[M+HCOO]- 218.11865 157.1
[M+CH3COO]- 232.13430 151.0
[M+Na-2H]- 194.09512 145.9
[M]+ 173.11990 135.8
[M]- 173.12100 135.8
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