CID 9950925

789488-77-3

Structural Information

Molecular Formula

C₁₅H₂₉N₃O₂

SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)CCCCCN

InChI

InChI=1S/C15H29N3O2/c1-13(2)12-15(20)18-10-8-17(9-11-18)14(19)6-4-3-5-7-16/h13H,3-12,16H2,1-2H3

InChIKey

VRZYMMVEALDDBH-UHFFFAOYSA-N

Compound name

6-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 102
Patents: 283.22598 Da
Monoisotopic Mass: 0.3
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]+	284.23326	173.9
[M+Na]+	306.21520	175.7
[M-H]-	282.21870	172.4
[M+NH4]+	301.25980	186.2
[M+K]+	322.18914	173.7
[M+H-H2O]+	266.22324	165.3
[M+HCOO]-	328.22418	187.8
[M+CH3COO]-	342.23983	204.9
[M+Na-2H]-	304.20065	171.0
[M]+	283.22543	170.8
[M]-	283.22653	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe