CID 15519085

6-ethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C11H15N
SMILES
CCC1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C11H15N/c1-2-9-3-4-11-8-12-6-5-10(11)7-9/h3-4,7,12H,2,5-6,8H2,1H3
InChIKey
YHRQYEUTUFPNKY-UHFFFAOYSA-N
Compound name
6-ethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

161.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.5
[M+Na]+ 184.10967 149.0
[M+NH4]+ 179.15427 145.6
[M+K]+ 200.08361 140.9
[M-H]- 160.11317 138.5
[M+Na-2H]- 182.09512 142.3
[M]+ 161.11990 138.3
[M]- 161.12100 138.3
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