CID 11367096

4h,5h,6h-pyrrolo[1,2-b]pyrazole-2-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC2=CC(=NN2C1)C(=O)O
InChI
InChI=1S/C7H8N2O2/c10-7(11)6-4-5-2-1-3-9(5)8-6/h4H,1-3H2,(H,10,11)
InChIKey
CSOYACNIOQHFQZ-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

152.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 130.3
[M+Na]+ 175.047798 139.1
[M-H]- 151.051304 131.2
[M+NH4]+ 170.092403 152.5
[M+K]+ 191.021738 137.6
[M+H-H2O]+ 135.055840 124.2
[M+HCOO]- 197.056781 150.9
[M+CH3COO]- 211.072431 171.5
[M+Na-2H]- 173.033246 134.1
[M]+ 152.05803142 129.4
[M]- 152.05912858 129.4
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

patents stripe