CID 12841167

86477-10-3

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCOC(=O)C1=C2CCCN2N=C1
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-6-10-11-5-3-4-8(7)11/h6H,2-5H2,1H3
InChIKey
ZWHDQPNZDVSPGL-UHFFFAOYSA-N
Compound name
ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 139.2
[M+Na]+ 203.07909 147.6
[M-H]- 179.08259 141.2
[M+NH4]+ 198.12369 161.1
[M+K]+ 219.05303 146.6
[M+H-H2O]+ 163.08713 132.6
[M+HCOO]- 225.08807 160.7
[M+CH3COO]- 239.10372 179.4
[M+Na-2H]- 201.06454 142.3
[M]+ 180.08932 140.8
[M]- 180.09042 140.8
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.

Patent stripe

patents stripe