CID 105442992

2253640-72-9

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC1=CC2=C(C=C1)N=CN=C2C(=O)O
InChI
InChI=1S/C10H8N2O2/c1-6-2-3-8-7(4-6)9(10(13)14)12-5-11-8/h2-5H,1H3,(H,13,14)
InChIKey
SHWGIJACTBDDEF-UHFFFAOYSA-N
Compound name
6-methylquinazoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

188.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 137.7
[M+Na]+ 211.04780 147.6
[M-H]- 187.05130 138.8
[M+NH4]+ 206.09240 155.3
[M+K]+ 227.02174 144.3
[M+H-H2O]+ 171.05584 130.6
[M+HCOO]- 233.05678 157.3
[M+CH3COO]- 247.07243 180.9
[M+Na-2H]- 209.03325 145.7
[M]+ 188.05803 138.3
[M]- 188.05913 138.3
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