CID 7161526

Methyl (2s)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate

Structural Information

Molecular Formula
C12H20N2O3
SMILES
COC(=O)[C@@H]1CN(CCN1)C(=O)C2CCCC2
InChI
InChI=1S/C12H20N2O3/c1-17-12(16)10-8-14(7-6-13-10)11(15)9-4-2-3-5-9/h9-10,13H,2-8H2,1H3/t10-/m0/s1
InChIKey
YDAPOAWHXFCUSH-JTQLQIEISA-N
Compound name
methyl (2S)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 158.0
[M+Na]+ 263.136618 160.6
[M-H]- 239.140124 159.1
[M+NH4]+ 258.181223 173.1
[M+K]+ 279.110558 158.9
[M+H-H2O]+ 223.144660 149.9
[M+HCOO]- 285.145601 171.4
[M+CH3COO]- 299.161251 186.6
[M+Na-2H]- 261.122066 155.9
[M]+ 240.14685142 151.0
[M]- 240.14794858 151.0
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.