CID 491075

1,2-dipropyl-3,4-dihydro-1h-isoquinoline-6,7-diol

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCC1C2=CC(=C(C=C2CCN1CCC)O)O
InChI
InChI=1S/C15H23NO2/c1-3-5-13-12-10-15(18)14(17)9-11(12)6-8-16(13)7-4-2/h9-10,13,17-18H,3-8H2,1-2H3
InChIKey
SFUBMAJRZSVZDX-UHFFFAOYSA-N
Compound name
1,2-dipropyl-3,4-dihydro-1H-isoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.4
[M+Na]+ 272.162098 167.3
[M-H]- 248.165604 160.5
[M+NH4]+ 267.206703 176.8
[M+K]+ 288.136038 162.9
[M+H-H2O]+ 232.170140 153.8
[M+HCOO]- 294.171081 175.9
[M+CH3COO]- 308.186731 193.8
[M+Na-2H]- 270.147546 162.8
[M]+ 249.17233142 159.6
[M]- 249.17342858 159.6
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

No patent data available for this compound.