CID 12411

Tritriacontane

Structural Information

Molecular Formula
C33H68
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKey
SUJUOAZFECLBOA-UHFFFAOYSA-N
Compound name
tritriacontane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13
References

1174
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 238.3
[M+Na]+ 487.52132 234.3
[M-H]- 463.52482 233.2
[M+NH4]+ 482.56592 238.6
[M+K]+ 503.49526 227.0
[M+H-H2O]+ 447.52936 228.9
[M+HCOO]- 509.53030 253.0
[M+CH3COO]- 523.54595 247.7
[M+Na-2H]- 485.50677 231.0
[M]+ 464.53155 249.8
[M]- 464.53265 249.8
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

patents stripe