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[2,1-e]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.2
[M+Na]+ 203.079088 147.6
[M-H]- 179.082594 141.2
[M+NH4]+ 198.123693 161.1
[M+K]+ 219.053028 146.6
[M+H-H2O]+ 163.087130 132.6
[M+HCOO]- 225.088071 160.7
[M+CH3COO]- 239.103721 179.4
[M+Na-2H]- 201.064536 142.3
[M]+ 180.08932142 140.8
[M]- 180.09041858 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