CID 61831

Octadecyl glycidyl ether

Structural Information

Molecular Formula
C21H42O2
SMILES
CCCCCCCCCCCCCCCCCCOCC1CO1
InChI
InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h21H,2-20H2,1H3
InChIKey
ZXJBWUAALADCRI-UHFFFAOYSA-N
Compound name
2-(octadecoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3369
Patents

326.31848 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.32576 187.7
[M+Na]+ 349.30770 190.9
[M-H]- 325.31120 190.4
[M+NH4]+ 344.35230 196.3
[M+K]+ 365.28164 187.7
[M+H-H2O]+ 309.31574 179.1
[M+HCOO]- 371.31668 206.6
[M+CH3COO]- 385.33233 216.2
[M+Na-2H]- 347.29315 188.7
[M]+ 326.31793 199.0
[M]- 326.31903 199.0
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