CID 269726

2-cinnolin-4-ylpropane-1,3-diol

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CN=N2)C(CO)CO
InChI
InChI=1S/C11H12N2O2/c14-6-8(7-15)10-5-12-13-11-4-2-1-3-9(10)11/h1-5,8,14-15H,6-7H2
InChIKey
ZMKUQXGSFYWYMF-UHFFFAOYSA-N
Compound name
2-cinnolin-4-ylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

204.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 143.9
[M+Na]+ 227.079088 151.6
[M-H]- 203.082594 143.0
[M+NH4]+ 222.123693 159.9
[M+K]+ 243.053028 147.8
[M+H-H2O]+ 187.087130 136.5
[M+HCOO]- 249.088071 161.5
[M+CH3COO]- 263.103721 181.1
[M+Na-2H]- 225.064536 151.6
[M]+ 204.08932142 143.2
[M]- 204.09041858 143.2
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.