CID 56936201

7,17-dimethylnonacosane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.