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]+ 205.09715 143.9
[M+Na]+ 227.07909 151.6
[M-H]- 203.08259 143.0
[M+NH4]+ 222.12369 159.9
[M+K]+ 243.05303 147.8
[M+H-H2O]+ 187.08713 136.5
[M+HCOO]- 249.08807 161.5
[M+CH3COO]- 263.10372 181.1
[M+Na-2H]- 225.06454 151.6
[M]+ 204.08932 143.2
[M]- 204.09042 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.