CID 61823

Cetyl glycidyl ether

Structural Information

Molecular Formula
C19H38O2
SMILES
CCCCCCCCCCCCCCCCOCC1CO1
InChI
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-19-18-21-19/h19H,2-18H2,1H3
InChIKey
YZUMRMCHAJVDRT-UHFFFAOYSA-N
Compound name
2-(hexadecoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3323
Patents

298.28717 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.29445 179.5
[M+Na]+ 321.27639 183.5
[M-H]- 297.27989 182.5
[M+NH4]+ 316.32099 189.2
[M+K]+ 337.25033 180.8
[M+H-H2O]+ 281.28443 171.2
[M+HCOO]- 343.28537 199.0
[M+CH3COO]- 357.30102 210.6
[M+Na-2H]- 319.26184 181.5
[M]+ 298.28662 190.1
[M]- 298.28772 190.1
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