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]+ 176.143376 138.6
[M+Na]+ 198.125318 147.1
[M-H]- 174.128824 141.9
[M+NH4]+ 193.169923 161.1
[M+K]+ 214.099258 144.2
[M+H-H2O]+ 158.133360 132.4
[M+HCOO]- 220.134301 158.0
[M+CH3COO]- 234.149951 182.9
[M+Na-2H]- 196.110766 146.1
[M]+ 175.13555142 137.0
[M]- 175.13664858 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