CID 106480

10-undecenoic acid, 1,1'-(iminodi-2,1-ethanediyl) ester

Structural Information

Molecular Formula
C26H47NO4
SMILES
C=CCCCCCCCCC(=O)OCCNCCOC(=O)CCCCCCCCC=C
InChI
InChI=1S/C26H47NO4/c1-3-5-7-9-11-13-15-17-19-25(28)30-23-21-27-22-24-31-26(29)20-18-16-14-12-10-8-6-4-2/h3-4,27H,1-2,5-24H2
InChIKey
ASODXZIYBJJXPI-UHFFFAOYSA-N
Compound name
2-(2-undec-10-enoyloxyethylamino)ethyl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.3505 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.35778 218.9
[M+Na]+ 460.33972 233.5
[M-H]- 436.34322 215.6
[M+NH4]+ 455.38432 226.0
[M+K]+ 476.31366 212.7
[M+H-H2O]+ 420.34776 210.0
[M+HCOO]- 482.34870 233.2
[M+CH3COO]- 496.36435 236.4
[M+Na-2H]- 458.32517 213.5
[M]+ 437.34995 222.7
[M]- 437.35105 222.7
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.