CID 6430632

19-methylnonatriacontane

Structural Information

Molecular Formula
C40H82
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H82/c1-4-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-40(3)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3
InChIKey
OSFLEUHONBIQCN-UHFFFAOYSA-N
Compound name
19-methylnonatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

562.64166 Da
Monoisotopic Mass

21.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.64894 267.3
[M+Na]+ 585.63088 272.4
[M-H]- 561.63438 243.9
[M+NH4]+ 580.67548 263.7
[M+K]+ 601.60482 275.8
[M+H-H2O]+ 545.63892 265.9
[M+HCOO]- 607.63986 271.8
[M+CH3COO]- 621.65551 268.0
[M+Na-2H]- 583.61633 249.3
[M]+ 562.64111 268.1
[M]- 562.64221 268.1
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

patents stripe