CID 56579

93202-77-8

Structural Information

Molecular Formula
C16H17NO2
SMILES
COC1=CC=C(C=C1)C2C3=C(CCN2)C=C(C=C3)O
InChI
InChI=1S/C16H17NO2/c1-19-14-5-2-11(3-6-14)16-15-7-4-13(18)10-12(15)8-9-17-16/h2-7,10,16-18H,8-9H2,1H3
InChIKey
ZRBXJLWGSDJPFD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.133206 158.2
[M+Na]+ 278.115148 165.1
[M-H]- 254.118654 161.5
[M+NH4]+ 273.159753 173.4
[M+K]+ 294.089088 159.7
[M+H-H2O]+ 238.123190 150.2
[M+HCOO]- 300.124131 174.9
[M+CH3COO]- 314.139781 168.8
[M+Na-2H]- 276.100596 163.4
[M]+ 255.12538142 154.7
[M]- 255.12647858 154.7
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.