CID 131215234

6,6-dimethyl-1h,4h,6h-furo[3,4-c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1(C2=C(CO1)C(=NN2)C(=O)O)C
InChI
InChI=1S/C8H10N2O3/c1-8(2)6-4(3-13-8)5(7(11)12)9-10-6/h3H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
XBMYGSKRORVPNY-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1,4-dihydrofuro[3,4-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 137.0
[M+Na]+ 205.05836 146.1
[M+NH4]+ 200.10296 144.9
[M+K]+ 221.03230 145.2
[M-H]- 181.06186 136.3
[M+Na-2H]- 203.04381 139.6
[M]+ 182.06859 137.8
[M]- 182.06969 137.8
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.

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No patent data available for this compound.