CID 214541

33421-71-5

Structural Information

Molecular Formula
C16H32N2O2
SMILES
CC(C)(C)CC(C)(C)C(=O)OCCN1CCN(CC1)C
InChI
InChI=1S/C16H32N2O2/c1-15(2,3)13-16(4,5)14(19)20-12-11-18-9-7-17(6)8-10-18/h7-13H2,1-6H3
InChIKey
XHYDVCPVDUAFNM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.24637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.25365 174.3
[M+Na]+ 307.23559 177.6
[M-H]- 283.23909 173.7
[M+NH4]+ 302.28019 187.7
[M+K]+ 323.20953 176.3
[M+H-H2O]+ 267.24363 167.1
[M+HCOO]- 329.24457 186.1
[M+CH3COO]- 343.26022 203.5
[M+Na-2H]- 305.22104 175.8
[M]+ 284.24582 174.4
[M]- 284.24692 174.4
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.