CID 217273

Pivalic acid, 3-piperidinopropyl ester, hydrochloride

Structural Information

Molecular Formula
C13H25NO2
SMILES
CC(C)(C)C(=O)OCCCN1CCCCC1
InChI
InChI=1S/C13H25NO2/c1-13(2,3)12(15)16-11-7-10-14-8-5-4-6-9-14/h4-11H2,1-3H3
InChIKey
LDCCWFOTQMVYLF-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

227.18852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 156.8
[M+Na]+ 250.17774 165.4
[M+NH4]+ 245.22234 163.6
[M+K]+ 266.15168 160.2
[M-H]- 226.18124 156.5
[M+Na-2H]- 248.16319 159.8
[M]+ 227.18797 157.7
[M]- 227.18907 157.7
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

patents stripe