CID 75466409

1707562-64-8

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
COC(=O)C1=C2CCCN2N=C1CCl
InChI
InChI=1S/C9H11ClN2O2/c1-14-9(13)8-6(5-10)11-12-4-2-3-7(8)12/h2-5H2,1H3
InChIKey
USJQOOQTQVTSKL-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0509 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 143.3
[M+Na]+ 237.04012 154.1
[M+NH4]+ 232.08472 151.2
[M+K]+ 253.01406 152.2
[M-H]- 213.04362 142.8
[M+Na-2H]- 235.02557 146.3
[M]+ 214.05035 144.7
[M]- 214.05145 144.7
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.