CID 208000

31364-64-4

Structural Information

Molecular Formula
C15H30N2O2
SMILES
CCCC(C)(C)C(=O)OCCCN1CCN(CC1)C
InChI
InChI=1S/C15H30N2O2/c1-5-7-15(2,3)14(18)19-13-6-8-17-11-9-16(4)10-12-17/h5-13H2,1-4H3
InChIKey
GXPVODYJUKTVEI-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.23074 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.238016 170.6
[M+Na]+ 293.219958 173.8
[M-H]- 269.223464 169.7
[M+NH4]+ 288.264563 184.3
[M+K]+ 309.193898 172.2
[M+H-H2O]+ 253.228000 162.7
[M+HCOO]- 315.228941 184.2
[M+CH3COO]- 329.244591 200.7
[M+Na-2H]- 291.205406 171.5
[M]+ 270.23019142 170.8
[M]- 270.23128858 170.8
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.