CID 378443

Nsc660982

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1CC2=C(C(=N1)C)C(=CC(=C2)OC)OC
InChI
InChI=1S/C13H17NO2/c1-8-5-10-6-11(15-3)7-12(16-4)13(10)9(2)14-8/h6-8H,5H2,1-4H3
InChIKey
GZBGZFKNOCVESD-UHFFFAOYSA-N
Compound name
6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.3
[M+Na]+ 242.11515 158.0
[M-H]- 218.11865 152.0
[M+NH4]+ 237.15975 167.4
[M+K]+ 258.08909 155.6
[M+H-H2O]+ 202.12319 141.5
[M+HCOO]- 264.12413 169.0
[M+CH3COO]- 278.13978 192.5
[M+Na-2H]- 240.10060 153.8
[M]+ 219.12538 151.9
[M]- 219.12648 151.9
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.