CID 82279648

6',7'-dimethoxy-2',3'-dihydro-1'h-spiro[cyclopropane-1,4'-isoquinoline] hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC1=C(C=C2C(=C1)CNCC23CC3)OC
InChI
InChI=1S/C13H17NO2/c1-15-11-5-9-7-14-8-13(3-4-13)10(9)6-12(11)16-2/h5-6,14H,3-4,7-8H2,1-2H3
InChIKey
OYQDUJKEVIBNCO-UHFFFAOYSA-N
Compound name
6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 153.7
[M+Na]+ 242.11515 163.5
[M-H]- 218.11865 158.3
[M+NH4]+ 237.15975 168.9
[M+K]+ 258.08909 159.8
[M+H-H2O]+ 202.12319 147.0
[M+HCOO]- 264.12413 171.4
[M+CH3COO]- 278.13978 165.3
[M+Na-2H]- 240.10060 160.5
[M]+ 219.12538 155.4
[M]- 219.12648 155.4
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.