CID 42607336

3,7,11,15,18-pentamethyloctacosane

Structural Information

Molecular Formula
C33H68
SMILES
CCCCCCCCCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CC
InChI
InChI=1S/C33H68/c1-8-10-11-12-13-14-15-16-20-32(6)27-28-33(7)26-19-25-31(5)24-18-23-30(4)22-17-21-29(3)9-2/h29-33H,8-28H2,1-7H3
InChIKey
UPFAOWHOCYHGCX-UHFFFAOYSA-N
Compound name
3,7,11,15,18-pentamethyloctacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.5321 Da
Monoisotopic Mass

16.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.53938 242.9
[M+Na]+ 487.52132 247.4
[M-H]- 463.52482 224.7
[M+NH4]+ 482.56592 242.1
[M+K]+ 503.49526 233.0
[M+H-H2O]+ 447.52936 234.3
[M+HCOO]- 509.53030 237.1
[M+CH3COO]- 523.54595 251.1
[M+Na-2H]- 485.50677 229.2
[M]+ 464.53155 240.8
[M]- 464.53265 240.8
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.