CID 22644

Nsc 36661

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1CC2=CC(=C(C=C2CN1)OC)OC
InChI
InChI=1S/C12H17NO2/c1-8-4-9-5-11(14-2)12(15-3)6-10(9)7-13-8/h5-6,8,13H,4,7H2,1-3H3
InChIKey
SRXUBSWMMKWIBE-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.0
[M+Na]+ 230.11515 153.8
[M-H]- 206.11865 147.8
[M+NH4]+ 225.15975 164.6
[M+K]+ 246.08909 150.9
[M+H-H2O]+ 190.12319 139.5
[M+HCOO]- 252.12413 164.2
[M+CH3COO]- 266.13978 186.0
[M+Na-2H]- 228.10060 151.3
[M]+ 207.12538 145.6
[M]- 207.12648 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe