CID 71433135

595610-49-4

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1COC2=NNC(=C21)C(=O)O
InChI
InChI=1S/C6H6N2O3/c9-6(10)4-3-1-2-11-5(3)8-7-4/h1-2H2,(H,7,8)(H,9,10)
InChIKey
YCRWSEXDMMDFIS-UHFFFAOYSA-N
Compound name
4,5-dihydro-2H-furo[2,3-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03784 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 128.4
[M+Na]+ 177.02706 137.1
[M-H]- 153.03056 128.7
[M+NH4]+ 172.07166 148.4
[M+K]+ 193.00100 136.4
[M+H-H2O]+ 137.03510 122.9
[M+HCOO]- 199.03604 147.1
[M+CH3COO]- 213.05169 168.1
[M+Na-2H]- 175.01251 133.0
[M]+ 154.03729 127.3
[M]- 154.03839 127.3
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.