CID 72210733

2-cyclopentyl-piperazine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1C2CCCC2
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-8-15-10-12(16)11-6-4-5-7-11/h11-12,15H,4-10H2,1-3H3
InChIKey
FHELQHJSNKQZRA-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyclopentylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 165.4
[M+Na]+ 277.18865 167.8
[M-H]- 253.19215 166.4
[M+NH4]+ 272.23325 180.4
[M+K]+ 293.16259 165.6
[M+H-H2O]+ 237.19669 157.7
[M+HCOO]- 299.19763 177.2
[M+CH3COO]- 313.21328 190.1
[M+Na-2H]- 275.17410 164.3
[M]+ 254.19888 158.4
[M]- 254.19998 158.4
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.