CID 45546

Isoquinoline, 1,2,3,4-tetrahydro-6-ethoxy-2-methyl-, 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]+ 192.138286 142.4
[M+Na]+ 214.120228 149.8
[M-H]- 190.123734 145.2
[M+NH4]+ 209.164833 162.1
[M+K]+ 230.094168 147.2
[M+H-H2O]+ 174.128270 135.5
[M+HCOO]- 236.129211 161.9
[M+CH3COO]- 250.144861 185.4
[M+Na-2H]- 212.105676 148.9
[M]+ 191.13046142 142.0
[M]- 191.13155858 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.