CID 6447841

1-methyl-4-piperidyl cyclopentyl(cis-propenyl)glycolate

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]+ 282.20638 171.2
[M+Na]+ 304.18832 172.8
[M-H]- 280.19182 173.2
[M+NH4]+ 299.23292 186.2
[M+K]+ 320.16226 170.1
[M+H-H2O]+ 264.19636 164.1
[M+HCOO]- 326.19730 184.0
[M+CH3COO]- 340.21295 195.3
[M+Na-2H]- 302.17377 169.4
[M]+ 281.19855 165.2
[M]- 281.19965 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.