CID 6430077

9,13-dimethylnonacosane

Structural Information

Molecular Formula
C31H64
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCC
InChI
InChI=1S/C31H64/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-27-31(4)29-25-28-30(3)26-23-21-12-10-8-6-2/h30-31H,5-29H2,1-4H3
InChIKey
IHFOKUGZVRWBAV-UHFFFAOYSA-N
Compound name
9,13-dimethylnonacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

436.5008 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.50808 232.7
[M+Na]+ 459.49002 229.1
[M-H]- 435.49352 228.2
[M+NH4]+ 454.53462 233.3
[M+K]+ 475.46396 223.1
[M+H-H2O]+ 419.49806 223.9
[M+HCOO]- 481.49900 240.6
[M+CH3COO]- 495.51465 243.3
[M+Na-2H]- 457.47547 223.8
[M]+ 436.50025 242.1
[M]- 436.50135 242.1
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