CID 6430448

7,25-dimethylhentriacontane

Structural Information

Molecular Formula
C33H68
SMILES
CCCCCCC(C)CCCCCCCCCCCCCCCCCC(C)CCCCCC
InChI
InChI=1S/C33H68/c1-5-7-9-24-28-32(3)30-26-22-20-18-16-14-12-11-13-15-17-19-21-23-27-31-33(4)29-25-10-8-6-2/h32-33H,5-31H2,1-4H3
InChIKey
PFWUDBGJOVHSKB-UHFFFAOYSA-N
Compound name
7,25-dimethylhentriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.5321 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.53938 241.2
[M+Na]+ 487.52132 236.8
[M-H]- 463.52482 236.3
[M+NH4]+ 482.56592 240.3
[M+K]+ 503.49526 230.3
[M+H-H2O]+ 447.52936 232.0
[M+HCOO]- 509.53030 246.9
[M+CH3COO]- 523.54595 249.0
[M+Na-2H]- 485.50677 231.3
[M]+ 464.53155 251.4
[M]- 464.53265 251.4
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.