CID 44351665

949034-59-7

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1C2=C(CO1)NN=C2C(=O)O
InChI
InChI=1S/C6H6N2O3/c9-6(10)5-3-1-11-2-4(3)7-8-5/h1-2H2,(H,7,8)(H,9,10)
InChIKey
VBEOEILKNBIXDR-UHFFFAOYSA-N
Compound name
4,6-dihydro-1H-furo[3,4-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

154.03784 Da
Monoisotopic Mass

-0.7
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

literature stripe

Patent stripe

patents stripe