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]+ 250.18016 160.4
[M+Na]+ 272.16210 167.3
[M-H]- 248.16560 160.5
[M+NH4]+ 267.20670 176.8
[M+K]+ 288.13604 162.9
[M+H-H2O]+ 232.17014 153.8
[M+HCOO]- 294.17108 175.9
[M+CH3COO]- 308.18673 193.8
[M+Na-2H]- 270.14755 162.8
[M]+ 249.17233 159.6
[M]- 249.17343 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.