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]+ 270.24275 169.9
[M+Na]+ 292.22469 172.3
[M-H]- 268.22819 170.4
[M+NH4]+ 287.26929 185.0
[M+K]+ 308.19863 171.2
[M+H-H2O]+ 252.23273 163.4
[M+HCOO]- 314.23367 183.1
[M+CH3COO]- 328.24932 199.6
[M+Na-2H]- 290.21014 172.1
[M]+ 269.23492 169.2
[M]- 269.23602 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.