CID 53212293

1284054-92-7

Structural Information

Molecular Formula
C13H10N2O4
SMILES
CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)O
InChI
InChI=1S/C13H10N2O4/c1-7-2-3-10-8(4-7)12-9(13(18)19-10)5-14-15(12)6-11(16)17/h2-5H,6H2,1H3,(H,16,17)
InChIKey
CKXDRILNYIMEPN-UHFFFAOYSA-N
Compound name
2-(8-methyl-4-oxochromeno[4,3-c]pyrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 153.1
[M+Na]+ 281.05328 165.7
[M-H]- 257.05678 156.9
[M+NH4]+ 276.09788 169.8
[M+K]+ 297.02722 162.8
[M+H-H2O]+ 241.06132 146.3
[M+HCOO]- 303.06226 173.2
[M+CH3COO]- 317.07791 166.6
[M+Na-2H]- 279.03873 159.8
[M]+ 258.06351 159.3
[M]- 258.06461 159.3
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

No patent data available for this compound.