CID 49719

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

Structural Information

Molecular Formula
C11H15N
SMILES
CCN1CCC2=CC=CC=C2C1
InChI
InChI=1S/C11H15N/c1-2-12-8-7-10-5-3-4-6-11(10)9-12/h3-6H,2,7-9H2,1H3
InChIKey
VFCWGXGWQPTGNQ-UHFFFAOYSA-N
Compound name
2-ethyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

417
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 134.5
[M+Na]+ 184.10967 141.4
[M-H]- 160.11317 137.0
[M+NH4]+ 179.15427 155.1
[M+K]+ 200.08361 138.5
[M+H-H2O]+ 144.11771 127.7
[M+HCOO]- 206.11865 154.1
[M+CH3COO]- 220.13430 179.3
[M+Na-2H]- 182.09512 142.2
[M]+ 161.11990 131.8
[M]- 161.12100 131.8
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