CID 45546

N-methyl-6-ethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CCOC1=CC2=C(CN(CC2)C)C=C1
InChI
InChI=1S/C12H17NO/c1-3-14-12-5-4-11-9-13(2)7-6-10(11)8-12/h4-5,8H,3,6-7,9H2,1-2H3
InChIKey
ZORGQKPNLBAWGR-UHFFFAOYSA-N
Compound name
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.4
[M+Na]+ 214.12023 149.8
[M-H]- 190.12373 145.2
[M+NH4]+ 209.16483 162.1
[M+K]+ 230.09417 147.2
[M+H-H2O]+ 174.12827 135.5
[M+HCOO]- 236.12921 161.9
[M+CH3COO]- 250.14486 185.4
[M+Na-2H]- 212.10568 148.9
[M]+ 191.13046 142.0
[M]- 191.13156 142.0
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

No patent data available for this compound.