CID 122155898

Ethyl 5-(pyrrolidin-3-yl)-1h-pyrazole-4-carboxylate dihydrochloride

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CCOC(=O)C1=C(NN=C1)C2CCNC2
InChI
InChI=1S/C10H15N3O2/c1-2-15-10(14)8-6-12-13-9(8)7-3-4-11-5-7/h6-7,11H,2-5H2,1H3,(H,12,13)
InChIKey
ODVHDTNGIFMTCN-UHFFFAOYSA-N
Compound name
ethyl 5-pyrrolidin-3-yl-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 148.2
[M+Na]+ 232.10564 154.1
[M-H]- 208.10914 148.1
[M+NH4]+ 227.15024 164.7
[M+K]+ 248.07958 151.4
[M+H-H2O]+ 192.11368 139.9
[M+HCOO]- 254.11462 165.2
[M+CH3COO]- 268.13027 178.7
[M+Na-2H]- 230.09109 148.1
[M]+ 209.11587 144.2
[M]- 209.11697 144.2
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.