CID 18526354

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

Structural Information

Molecular Formula
C11H15N
SMILES
CCC1CNCC2=CC=CC=C12
InChI
InChI=1S/C11H15N/c1-2-9-7-12-8-10-5-3-4-6-11(9)10/h3-6,9,12H,2,7-8H2,1H3
InChIKey
KQSKDBNSOXTNLO-UHFFFAOYSA-N
Compound name
4-ethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

161.12045 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe