CID 166410

73287-53-3

Structural Information

Molecular Formula
C16H29NO4
SMILES
CCN(CC)CCC(=O)OCCCCCCOC(=O)C=C
InChI
InChI=1S/C16H29NO4/c1-4-15(18)20-13-9-7-8-10-14-21-16(19)11-12-17(5-2)6-3/h4H,1,5-14H2,2-3H3
InChIKey
JRCVXCVXDRUUNK-UHFFFAOYSA-N
Compound name
6-prop-2-enoyloxyhexyl 3-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

299.20966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.216936 176.9
[M+Na]+ 322.198878 179.8
[M-H]- 298.202384 177.0
[M+NH4]+ 317.243483 192.4
[M+K]+ 338.172818 179.4
[M+H-H2O]+ 282.206920 169.7
[M+HCOO]- 344.207861 198.6
[M+CH3COO]- 358.223511 211.1
[M+Na-2H]- 320.184326 175.8
[M]+ 299.20911142 184.7
[M]- 299.21020858 184.7
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.