CID 129837279

2,3,4-trimethyltriacontane

Structural Information

Molecular Formula
C33H68
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(C)C(C)C
InChI
InChI=1S/C33H68/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32(4)33(5)31(2)3/h31-33H,6-30H2,1-5H3
InChIKey
UIFMMGCTTVOBLD-UHFFFAOYSA-N
Compound name
2,3,4-trimethyltriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.5321 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.539376 242.1
[M+Na]+ 487.521318 237.6
[M-H]- 463.524824 223.7
[M+NH4]+ 482.565923 241.0
[M+K]+ 503.495258 231.5
[M+H-H2O]+ 447.529360 233.1
[M+HCOO]- 509.530301 243.8
[M+CH3COO]- 523.545951 249.6
[M+Na-2H]- 485.506766 230.9
[M]+ 464.53155142 242.9
[M]- 464.53264858 242.9
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.