CID 44151008

Oo-octadecyl hydrogen peroxycarbonate

Structural Information

Molecular Formula
C19H38O4
SMILES
CCCCCCCCCCCCCCCCCCOOC(=O)O
InChI
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23-19(20)21/h2-18H2,1H3,(H,20,21)
InChIKey
SGNOCVPMLRBFTI-UHFFFAOYSA-N
Compound name
octadecoxy hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.277 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.284276 189.3
[M+Na]+ 353.266218 190.6
[M-H]- 329.269724 185.7
[M+NH4]+ 348.310823 202.6
[M+K]+ 369.240158 187.9
[M+H-H2O]+ 313.274260 182.0
[M+HCOO]- 375.275201 207.4
[M+CH3COO]- 389.290851 210.6
[M+Na-2H]- 351.251666 187.7
[M]+ 330.27645142 198.0
[M]- 330.27754858 198.0
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