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]+ 162.127726 135.0
[M+Na]+ 184.109668 141.5
[M-H]- 160.113174 136.2
[M+NH4]+ 179.154273 154.9
[M+K]+ 200.083608 137.7
[M+H-H2O]+ 144.117710 128.6
[M+HCOO]- 206.118651 153.2
[M+CH3COO]- 220.134301 147.2
[M+Na-2H]- 182.095116 142.3
[M]+ 161.11990142 130.5
[M]- 161.12099858 130.5
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