CID 104440

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

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(CC2=CC=CC=C2N(C1)C)C
InChI
InChI=1S/C12H17N/c1-12(2)8-10-6-4-5-7-11(10)13(3)9-12/h4-7H,8-9H2,1-3H3
InChIKey
UBABTTHJZBCRCI-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2,4-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 138.6
[M+Na]+ 198.12532 147.1
[M-H]- 174.12882 141.9
[M+NH4]+ 193.16992 161.1
[M+K]+ 214.09926 144.2
[M+H-H2O]+ 158.13336 132.4
[M+HCOO]- 220.13430 158.0
[M+CH3COO]- 234.14995 182.9
[M+Na-2H]- 196.11077 146.1
[M]+ 175.13555 137.0
[M]- 175.13665 137.0
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

patents stripe