CID 207998

31364-61-1

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(C)(C)C(=O)OCCCN1CCN(CC1)C

InChI

InChI=1S/C13H26N2O2/c1-13(2,3)12(16)17-11-5-6-15-9-7-14(4)8-10-15/h5-11H2,1-4H3

InChIKey

QHOKRMXBEQYHIO-UHFFFAOYSA-N

Compound name

3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 242.19943 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.20671	161.8
[M+Na]+	265.18865	166.0
[M-H]-	241.19215	161.4
[M+NH4]+	260.23325	176.9
[M+K]+	281.16259	164.9
[M+H-H2O]+	225.19669	154.4
[M+HCOO]-	287.19763	176.2
[M+CH3COO]-	301.21328	194.0
[M+Na-2H]-	263.17410	163.8
[M]+	242.19888	161.3
[M]-	242.19998	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe