CID 135511238

6,7-isoquinolinediol, 1-ethyl-

Structural Information

Molecular Formula
C11H11NO2
SMILES
CCC1=NC=CC2=CC(=C(C=C21)O)O
InChI
InChI=1S/C11H11NO2/c1-2-9-8-6-11(14)10(13)5-7(8)3-4-12-9/h3-6,13-14H,2H2,1H3
InChIKey
SHVNMPUYPKKSLH-UHFFFAOYSA-N
Compound name
1-ethylisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

189.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.9
[M+Na]+ 212.06820 148.8
[M-H]- 188.07170 140.2
[M+NH4]+ 207.11280 157.6
[M+K]+ 228.04214 144.8
[M+H-H2O]+ 172.07624 132.9
[M+HCOO]- 234.07718 158.8
[M+CH3COO]- 248.09283 179.8
[M+Na-2H]- 210.05365 146.3
[M]+ 189.07843 139.2
[M]- 189.07953 139.2
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.