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 172.3
[M+Na]+ 306.20397 174.2
[M-H]- 282.20747 170.0
[M+NH4]+ 301.24857 187.0
[M+K]+ 322.17791 171.6
[M+H-H2O]+ 266.21201 166.8
[M+HCOO]- 328.21295 183.4
[M+CH3COO]- 342.22860 196.3
[M+Na-2H]- 304.18942 172.8
[M]+ 283.21420 168.8
[M]- 283.21530 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.