CID 212405

24269-56-5

Structural Information

Molecular Formula
C13H25N3O2
SMILES
CCOC(=O)N1CCN(CC1)CCN2CCCC2
InChI
InChI=1S/C13H25N3O2/c1-2-18-13(17)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14/h2-12H2,1H3
InChIKey
LDLGFGICPKXZGS-UHFFFAOYSA-N
Compound name
ethyl 4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.19467 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.201946 164.5
[M+Na]+ 278.183888 167.1
[M-H]- 254.187394 165.1
[M+NH4]+ 273.228493 178.5
[M+K]+ 294.157828 165.4
[M+H-H2O]+ 238.191930 154.6
[M+HCOO]- 300.192871 178.3
[M+CH3COO]- 314.208521 192.8
[M+Na-2H]- 276.169336 163.2
[M]+ 255.19412142 160.0
[M]- 255.19521858 160.0
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.