CID 59086

101913-74-0

Structural Information

Molecular Formula
C16H29NO3
SMILES
CCCCCC(C(=C)C)(C(=O)OC1(CCNCC1)C)O
InChI
InChI=1S/C16H29NO3/c1-5-6-7-8-16(19,13(2)3)14(18)20-15(4)9-11-17-12-10-15/h17,19H,2,5-12H2,1,3-4H3
InChIKey
ZMDBBSNFEBRSQV-UHFFFAOYSA-N
Compound name
(4-methylpiperidin-4-yl) 2-hydroxy-2-prop-1-en-2-ylheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.21475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.22203 171.4
[M+Na]+ 306.20397 177.6
[M+NH4]+ 301.24857 177.4
[M+K]+ 322.17791 172.1
[M-H]- 282.20747 168.9
[M+Na-2H]- 304.18942 173.3
[M]+ 283.21420 171.3
[M]- 283.21530 171.3
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.