CID 22669

6274-99-3

Structural Information

Molecular Formula
C13H20NO2
SMILES
C[N+]1(CCC2=CC(=C(C=C2C1)OC)OC)C
InChI
InChI=1S/C13H20NO2/c1-14(2)6-5-10-7-12(15-3)13(16-4)8-11(10)9-14/h7-8H,5-6,9H2,1-4H3/q+1
InChIKey
QAVSBDTVJFBPNA-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1494 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15668 148.7
[M+Na]+ 245.13862 157.2
[M-H]- 221.14212 152.3
[M+NH4]+ 240.18322 169.3
[M+K]+ 261.11256 149.5
[M+H-H2O]+ 205.14666 145.1
[M+HCOO]- 267.14760 167.6
[M+CH3COO]- 281.16325 184.5
[M+Na-2H]- 243.12407 157.3
[M]+ 222.14885 149.0
[M]- 222.14995 149.0
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.