CID 82397182

1488567-05-0

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.08151	142.3
[M+Na]+	225.06345	152.7
[M-H]-	201.06695	143.7
[M+NH4]+	220.10805	159.7
[M+K]+	241.03739	149.2
[M+H-H2O]+	185.07149	135.3
[M+HCOO]-	247.07243	161.6
[M+CH3COO]-	261.08808	185.2
[M+Na-2H]-	223.04890	149.0
[M]+	202.07368	143.6
[M]-	202.07478	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe