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

38
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 157.6
[M+Na]+ 250.17774 160.8
[M-H]- 226.18124 158.3
[M+NH4]+ 245.22234 174.3
[M+K]+ 266.15168 159.9
[M+H-H2O]+ 210.18578 150.9
[M+HCOO]- 272.18672 173.3
[M+CH3COO]- 286.20237 190.1
[M+Na-2H]- 248.16319 160.3
[M]+ 227.18797 156.2
[M]- 227.18907 156.2
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

patents stripe