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
2
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]+ 300.21694 176.9
[M+Na]+ 322.19888 179.8
[M-H]- 298.20238 177.0
[M+NH4]+ 317.24348 192.4
[M+K]+ 338.17282 179.4
[M+H-H2O]+ 282.20692 169.7
[M+HCOO]- 344.20786 198.6
[M+CH3COO]- 358.22351 211.1
[M+Na-2H]- 320.18433 175.8
[M]+ 299.20911 184.7
[M]- 299.21021 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.