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
1
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]+ 372.31084 200.0
[M+Na]+ 394.29278 200.8
[M-H]- 370.29628 197.7
[M+NH4]+ 389.33738 208.2
[M+K]+ 410.26672 198.4
[M+H-H2O]+ 354.30082 192.5
[M+HCOO]- 416.30176 219.8
[M+CH3COO]- 430.31741 222.9
[M+Na-2H]- 392.27823 199.2
[M]+ 371.30301 209.3
[M]- 371.30411 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