CID 545651

Henicosyl formate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCCCCCCCCCCCOC=O
InChI
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23/h22H,2-21H2,1H3
InChIKey
ZMGJNJFHZNMVCW-UHFFFAOYSA-N
Compound name
henicosyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

340.33414 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 195.7
[M+Na]+ 363.32336 196.5
[M-H]- 339.32686 192.9
[M+NH4]+ 358.36796 209.4
[M+K]+ 379.29730 192.4
[M+H-H2O]+ 323.33140 188.0
[M+HCOO]- 385.33234 214.8
[M+CH3COO]- 399.34799 218.3
[M+Na-2H]- 361.30881 194.2
[M]+ 340.33359 205.3
[M]- 340.33469 205.3
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.