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 146.4
[M+Na]+ 237.04012 156.4
[M-H]- 213.04362 148.5
[M+NH4]+ 232.08472 168.0
[M+K]+ 253.01406 153.4
[M+H-H2O]+ 197.04816 140.3
[M+HCOO]- 259.04910 163.1
[M+CH3COO]- 273.06475 184.3
[M+Na-2H]- 235.02557 148.2
[M]+ 214.05035 150.0
[M]- 214.05145 150.0
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.