CID 214555

33451-91-1

Structural Information

Molecular Formula
C16H31NO2
SMILES
CC(C)(C)CC(C)(C)C(=O)OCCN1CCCCC1
InChI
InChI=1S/C16H31NO2/c1-15(2,3)13-16(4,5)14(18)19-12-11-17-9-7-6-8-10-17/h6-13H2,1-5H3
InChIKey
JMDIRIQAXXJKJW-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 169.9
[M+Na]+ 292.224688 172.3
[M-H]- 268.228194 170.4
[M+NH4]+ 287.269293 185.0
[M+K]+ 308.198628 171.2
[M+H-H2O]+ 252.232730 163.4
[M+HCOO]- 314.233671 183.1
[M+CH3COO]- 328.249321 199.6
[M+Na-2H]- 290.210136 172.1
[M]+ 269.23492142 169.2
[M]- 269.23601858 169.2
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.