CID 21354840

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

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)C1=C2CCCNC2=CC=C1
InChI
InChI=1S/C12H17N/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12/h3,5,7,9,13H,4,6,8H2,1-2H3
InChIKey
WDKGVLYQCMFRAW-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

175.1361 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

patents stripe