CID 22662

6272-91-9

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC1=C(C=C2CNCCC2=C1)OC
InChI
InChI=1S/C12H17NO2/c1-3-15-12-6-9-4-5-13-8-10(9)7-11(12)14-2/h6-7,13H,3-5,8H2,1-2H3
InChIKey
PZNFFJHHTABBMQ-UHFFFAOYSA-N
Compound name
6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.1
[M+Na]+ 230.11515 152.9
[M-H]- 206.11865 147.4
[M+NH4]+ 225.15975 164.3
[M+K]+ 246.08909 150.0
[M+H-H2O]+ 190.12319 139.2
[M+HCOO]- 252.12413 164.3
[M+CH3COO]- 266.13978 184.8
[M+Na-2H]- 228.10060 152.1
[M]+ 207.12538 145.2
[M]- 207.12648 145.2
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