CID 53746693

11-octyltricosane

Structural Information

Molecular Formula
C31H64
SMILES
CCCCCCCCCCCCC(CCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C31H64/c1-4-7-10-13-16-18-19-21-24-27-30-31(28-25-22-15-12-9-6-3)29-26-23-20-17-14-11-8-5-2/h31H,4-30H2,1-3H3
InChIKey
CYILFGOWMLYEBL-UHFFFAOYSA-N
Compound name
11-octyltricosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.5008 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.50808 231.5
[M+Na]+ 459.49002 228.1
[M-H]- 435.49352 227.0
[M+NH4]+ 454.53462 232.4
[M+K]+ 475.46396 221.7
[M+H-H2O]+ 419.49806 222.5
[M+HCOO]- 481.49900 243.6
[M+CH3COO]- 495.51465 242.6
[M+Na-2H]- 457.47547 223.9
[M]+ 436.50025 241.6
[M]- 436.50135 241.6
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.