CID 3064010

101932-04-1

Structural Information

Molecular Formula
C16H27NO3
SMILES
CC(=C)C(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C16H27NO3/c1-12(2)16(19,13-6-4-5-7-13)15(18)20-14-8-10-17(3)11-9-14/h13-14,19H,1,4-11H2,2-3H3
InChIKey
YXQHNBSCRZRLDI-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.20638 170.4
[M+Na]+ 304.18832 171.7
[M-H]- 280.19182 172.5
[M+NH4]+ 299.23292 185.3
[M+K]+ 320.16226 169.6
[M+H-H2O]+ 264.19636 163.6
[M+HCOO]- 326.19730 182.2
[M+CH3COO]- 340.21295 196.9
[M+Na-2H]- 302.17377 167.6
[M]+ 281.19855 164.0
[M]- 281.19965 164.0
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.