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]+ 220.133206 153.7
[M+Na]+ 242.115148 163.5
[M-H]- 218.118654 158.3
[M+NH4]+ 237.159753 168.9
[M+K]+ 258.089088 159.8
[M+H-H2O]+ 202.123190 147.0
[M+HCOO]- 264.124131 171.4
[M+CH3COO]- 278.139781 165.3
[M+Na-2H]- 240.100596 160.5
[M]+ 219.12538142 155.4
[M]- 219.12647858 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.