CID 214543

33421-72-6

Structural Information

Molecular Formula
C17H34N2O2
SMILES
CC(C)(C)CC(C)(C)C(=O)OCCCN1CCN(CC1)C
InChI
InChI=1S/C17H34N2O2/c1-16(2,3)14-17(4,5)15(20)21-13-7-8-19-11-9-18(6)10-12-19/h7-14H2,1-6H3
InChIKey
ORTVCISUQVAWGG-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)propyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.26202 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.26930 178.8
[M+Na]+ 321.25124 181.7
[M-H]- 297.25474 178.0
[M+NH4]+ 316.29584 191.6
[M+K]+ 337.22518 180.2
[M+H-H2O]+ 281.25928 171.4
[M+HCOO]- 343.26022 190.2
[M+CH3COO]- 357.27587 206.5
[M+Na-2H]- 319.23669 179.8
[M]+ 298.26147 179.2
[M]- 298.26257 179.2
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.