CID 6447841

Cyclopentaneglycolic acid, alpha-propenyl-, 1-methyl-4-piperidyl ester, (z)-

Structural Information

Molecular Formula
C16H27NO3
SMILES
C/C=C\C(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C16H27NO3/c1-3-10-16(19,13-6-4-5-7-13)15(18)20-14-8-11-17(2)12-9-14/h3,10,13-14,19H,4-9,11-12H2,1-2H3/b10-3-
InChIKey
GRJFSVJCYOIYQH-KMKOMSMNSA-N
Compound name
(1-methylpiperidin-4-yl) (Z)-2-cyclopentyl-2-hydroxypent-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.206376 171.2
[M+Na]+ 304.188318 172.8
[M-H]- 280.191824 173.2
[M+NH4]+ 299.232923 186.2
[M+K]+ 320.162258 170.1
[M+H-H2O]+ 264.196360 164.1
[M+HCOO]- 326.197301 184.0
[M+CH3COO]- 340.212951 195.3
[M+Na-2H]- 302.173766 169.4
[M]+ 281.19855142 165.2
[M]- 281.19964858 165.2
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.