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]+ 284.222026 172.3
[M+Na]+ 306.203968 174.2
[M-H]- 282.207474 170.0
[M+NH4]+ 301.248573 187.0
[M+K]+ 322.177908 171.6
[M+H-H2O]+ 266.212010 166.8
[M+HCOO]- 328.212951 183.4
[M+CH3COO]- 342.228601 196.3
[M+Na-2H]- 304.189416 172.8
[M]+ 283.21420142 168.8
[M]- 283.21529858 168.8
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.