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]+ 465.53938 242.1
[M+Na]+ 487.52132 237.6
[M-H]- 463.52482 223.7
[M+NH4]+ 482.56592 241.0
[M+K]+ 503.49526 231.5
[M+H-H2O]+ 447.52936 233.1
[M+HCOO]- 509.53030 243.8
[M+CH3COO]- 523.54595 249.6
[M+Na-2H]- 485.50677 230.9
[M]+ 464.53155 242.9
[M]- 464.53265 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.