CID 776480

1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1C2=C(NN=C2C3=CC=CC=C3O1)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-11(15)10-7-5-16-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKey
LCCZBCRICIYZCV-UHFFFAOYSA-N
Compound name
2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

30
Patents

216.0535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 143.1
[M+Na]+ 239.04272 152.3
[M-H]- 215.04622 144.3
[M+NH4]+ 234.08732 160.1
[M+K]+ 255.01666 149.2
[M+H-H2O]+ 199.05076 136.5
[M+HCOO]- 261.05170 159.3
[M+CH3COO]- 275.06735 155.2
[M+Na-2H]- 237.02817 150.0
[M]+ 216.05295 142.5
[M]- 216.05405 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe