CID 89999478

Ec 700-067-2

Structural Information

Molecular Formula
C21H41NO4
SMILES
CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCOCCO
InChI
InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-20(24)26-19-21(2,3)18-22-14-16-25-17-15-23/h18,23H,4-17,19H2,1-3H3
InChIKey
OIOXSPCSRJPJNN-UHFFFAOYSA-N
Compound name
[3-[2-(2-hydroxyethoxy)ethylimino]-2,2-dimethylpropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

371.30356 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.310836 200.0
[M+Na]+ 394.292778 200.8
[M-H]- 370.296284 197.7
[M+NH4]+ 389.337383 208.2
[M+K]+ 410.266718 198.4
[M+H-H2O]+ 354.300820 192.5
[M+HCOO]- 416.301761 219.8
[M+CH3COO]- 430.317411 222.9
[M+Na-2H]- 392.278226 199.2
[M]+ 371.30301142 209.3
[M]- 371.30410858 209.3
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

patents stripe