CID 6447839

3-pentenoic acid, 2-hydroxy-2-isopropyl-, 1-methyl-4-piperidyl ester (z)-

Structural Information

Molecular Formula
C14H25NO3
SMILES
C/C=C\C(C(C)C)(C(=O)OC1CCN(CC1)C)O
InChI
InChI=1S/C14H25NO3/c1-5-8-14(17,11(2)3)13(16)18-12-6-9-15(4)10-7-12/h5,8,11-12,17H,6-7,9-10H2,1-4H3/b8-5-
InChIKey
ATNZWHAGSAJESA-YVMONPNESA-N
Compound name
(1-methylpiperidin-4-yl) (Z)-2-hydroxy-2-propan-2-ylpent-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 163.0
[M+Na]+ 278.172658 166.3
[M-H]- 254.176164 162.5
[M+NH4]+ 273.217263 177.9
[M+K]+ 294.146598 164.7
[M+H-H2O]+ 238.180700 156.8
[M+HCOO]- 300.181641 176.3
[M+CH3COO]- 314.197291 193.8
[M+Na-2H]- 276.158106 163.0
[M]+ 255.18289142 160.5
[M]- 255.18398858 160.5
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.