CID 56936267

7-methyl-cis-8,9-epoxy-tricosane

Structural Information

Molecular Formula
C23H46O
SMILES
CCCCCCCCCCCCCC1C(O1)C(C)CCCCCC
InChI
InChI=1S/C23H46O/c1-4-6-8-10-11-12-13-14-15-16-18-20-22-23(24-22)21(3)19-17-9-7-5-2/h21-23H,4-20H2,1-3H3
InChIKey
SMZLXBDFGGBYQF-UHFFFAOYSA-N
Compound name
2-octan-2-yl-3-tridecyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.35486 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.36214 192.3
[M+Na]+ 361.34408 195.4
[M-H]- 337.34758 195.0
[M+NH4]+ 356.38868 200.8
[M+K]+ 377.31802 191.6
[M+H-H2O]+ 321.35212 183.9
[M+HCOO]- 383.35306 209.4
[M+CH3COO]- 397.36871 221.9
[M+Na-2H]- 359.32953 190.5
[M]+ 338.35431 202.7
[M]- 338.35541 202.7
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

No patent data available for this compound.