CID 17993584

2-(propan-2-yl)-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)C1CCC2=CC=CC=C2N1
InChI
InChI=1S/C12H17N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3-6,9,11,13H,7-8H2,1-2H3
InChIKey
QTMOXLMMSRXXGQ-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

175.1361 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.9
[M+Na]+ 198.12532 145.7
[M-H]- 174.12882 141.0
[M+NH4]+ 193.16992 159.2
[M+K]+ 214.09926 142.1
[M+H-H2O]+ 158.13336 133.5
[M+HCOO]- 220.13430 156.7
[M+CH3COO]- 234.14995 180.5
[M+Na-2H]- 196.11077 145.4
[M]+ 175.13555 135.2
[M]- 175.13665 135.2
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