CID 69510

Anhalamine

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC1=C(C(=C2CNCCC2=C1)O)OC
InChI
InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3
InChIKey
DVQVXTPSJBCBJI-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

209.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 144.9
[M+Na]+ 232.094418 152.6
[M-H]- 208.097924 145.4
[M+NH4]+ 227.139023 162.5
[M+K]+ 248.068358 149.6
[M+H-H2O]+ 192.102460 138.6
[M+HCOO]- 254.103401 162.1
[M+CH3COO]- 268.119051 182.7
[M+Na-2H]- 230.079866 150.3
[M]+ 209.10465142 143.8
[M]- 209.10574858 143.8
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