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 136.4
[M+Na]+ 205.05836 146.2
[M-H]- 181.06186 137.1
[M+NH4]+ 200.10296 157.8
[M+K]+ 221.03230 145.1
[M+H-H2O]+ 165.06640 131.8
[M+HCOO]- 227.06734 154.5
[M+CH3COO]- 241.08299 174.8
[M+Na-2H]- 203.04381 140.7
[M]+ 182.06859 136.9
[M]- 182.06969 136.9
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.