CID 212592

Pivalic acid, 2-piperidinoethyl ester, hydrochloride

Structural Information

Molecular Formula
C12H23NO2
SMILES
CC(C)(C)C(=O)OCCN1CCCCC1
InChI
InChI=1S/C12H23NO2/c1-12(2,3)11(14)15-10-9-13-7-5-4-6-8-13/h4-10H2,1-3H3
InChIKey
OLKWNPMJVRLURV-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

213.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 153.0
[M+Na]+ 236.16210 156.7
[M-H]- 212.16560 153.9
[M+NH4]+ 231.20670 170.3
[M+K]+ 252.13604 156.0
[M+H-H2O]+ 196.17014 146.5
[M+HCOO]- 258.17108 169.1
[M+CH3COO]- 272.18673 187.1
[M+Na-2H]- 234.14755 156.2
[M]+ 213.17233 151.2
[M]- 213.17343 151.2
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