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]+ 271.23802 170.6
[M+Na]+ 293.21996 173.8
[M-H]- 269.22346 169.7
[M+NH4]+ 288.26456 184.3
[M+K]+ 309.19390 172.2
[M+H-H2O]+ 253.22800 162.7
[M+HCOO]- 315.22894 184.2
[M+CH3COO]- 329.24459 200.7
[M+Na-2H]- 291.20541 171.5
[M]+ 270.23019 170.8
[M]- 270.23129 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.