CID 83680022

1519903-75-3

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CN1C(=C2COCCC2=N1)C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-10-7(8(11)12)5-4-13-3-2-6(5)9-10/h2-4H2,1H3,(H,11,12)
InChIKey
ZGDBTZNBKHQCPL-UHFFFAOYSA-N
Compound name
2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.4
[M+Na]+ 205.05836 144.9
[M-H]- 181.06186 137.7
[M+NH4]+ 200.10296 154.6
[M+K]+ 221.03230 144.3
[M+H-H2O]+ 165.06640 130.0
[M+HCOO]- 227.06734 153.8
[M+CH3COO]- 241.08299 177.7
[M+Na-2H]- 203.04381 141.4
[M]+ 182.06859 136.2
[M]- 182.06969 136.2
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.