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

103
Patents

283.22598 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.233256 173.9
[M+Na]+ 306.215198 175.7
[M-H]- 282.218704 172.4
[M+NH4]+ 301.259803 186.2
[M+K]+ 322.189138 173.7
[M+H-H2O]+ 266.223240 165.3
[M+HCOO]- 328.224181 187.8
[M+CH3COO]- 342.239831 204.9
[M+Na-2H]- 304.200646 171.0
[M]+ 283.22543142 170.8
[M]- 283.22652858 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

literature stripe

Patent stripe

patents stripe