CID 10511462

2-propyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C12H17N
SMILES
CCCC1CCC2=CC=CC=C2N1
InChI
InChI=1S/C12H17N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-7,11,13H,2,5,8-9H2,1H3
InChIKey
RTQBHSJQNWVSGE-UHFFFAOYSA-N
Compound name
2-propyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

175.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.6
[M+Na]+ 198.125318 145.7
[M-H]- 174.128824 140.6
[M+NH4]+ 193.169923 159.0
[M+K]+ 214.099258 141.6
[M+H-H2O]+ 158.133360 133.0
[M+HCOO]- 220.134301 157.4
[M+CH3COO]- 234.149951 179.6
[M+Na-2H]- 196.110766 146.4
[M]+ 175.13555142 135.5
[M]- 175.13664858 135.5
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