CID 3065264

Tr 358

Structural Information

Molecular Formula
C16H32N2O
SMILES
CC(C)(C)CC(C)(C)NC(=O)CCN1CCCCC1
InChI
InChI=1S/C16H32N2O/c1-15(2,3)13-16(4,5)17-14(19)9-12-18-10-7-6-8-11-18/h6-13H2,1-5H3,(H,17,19)
InChIKey
ZLOJCRXWOPWQOA-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.25146 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.25874 169.9
[M+Na]+ 291.24068 176.8
[M+NH4]+ 286.28528 176.1
[M+K]+ 307.21462 172.1
[M-H]- 267.24418 169.6
[M+Na-2H]- 289.22613 172.4
[M]+ 268.25091 170.6
[M]- 268.25201 170.6
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.