CID 82397182

7,8-dimethylcinnoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=C(C2=NN=C(C=C2C=C1)C(=O)O)C
InChI
InChI=1S/C11H10N2O2/c1-6-3-4-8-5-9(11(14)15)12-13-10(8)7(6)2/h3-5H,1-2H3,(H,14,15)
InChIKey
PGNAPBQSBLKBDH-UHFFFAOYSA-N
Compound name
7,8-dimethylcinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 142.3
[M+Na]+ 225.063448 152.7
[M-H]- 201.066954 143.7
[M+NH4]+ 220.108053 159.7
[M+K]+ 241.037388 149.2
[M+H-H2O]+ 185.071490 135.3
[M+HCOO]- 247.072431 161.6
[M+CH3COO]- 261.088081 185.2
[M+Na-2H]- 223.048896 149.0
[M]+ 202.07368142 143.6
[M]- 202.07477858 143.6
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

patents stripe