CID 56936152

13,17-dimethyltriacontane

Structural Information

Molecular Formula
C32H66
SMILES
CCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C32H66/c1-5-7-9-11-13-15-17-19-21-23-25-28-32(4)30-26-29-31(3)27-24-22-20-18-16-14-12-10-8-6-2/h31-32H,5-30H2,1-4H3
InChIKey
PBGJCQPDUYBYRS-UHFFFAOYSA-N
Compound name
13,17-dimethyltriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

450.51645 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.52373 237.0
[M+Na]+ 473.50567 233.0
[M-H]- 449.50917 232.3
[M+NH4]+ 468.55027 236.8
[M+K]+ 489.47961 226.7
[M+H-H2O]+ 433.51371 228.0
[M+HCOO]- 495.51465 243.8
[M+CH3COO]- 509.53030 246.1
[M+Na-2H]- 471.49112 227.5
[M]+ 450.51590 246.8
[M]- 450.51700 246.8
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