CID 3018404

Glycol montanate

Structural Information

Molecular Formula
C30H60O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)33-29-28-31/h31H,2-29H2,1H3
InChIKey
MORHMXPGPOPWQT-UHFFFAOYSA-N
Compound name
2-hydroxyethyl octacosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

917
Patents

468.45425 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.46153 234.3
[M+Na]+ 491.44347 239.4
[M-H]- 467.44697 217.3
[M+NH4]+ 486.48807 231.5
[M+K]+ 507.41741 225.1
[M+H-H2O]+ 451.45151 225.2
[M+HCOO]- 513.45245 242.2
[M+CH3COO]- 527.46810 240.7
[M+Na-2H]- 489.42892 227.0
[M]+ 468.45370 234.4
[M]- 468.45480 234.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe