CID 6430374

11,21-dimethyl-pentatriacontane

Structural Information

Molecular Formula
C37H76
SMILES
CCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCC
InChI
InChI=1S/C37H76/c1-5-7-9-11-13-15-16-17-18-21-25-29-33-37(4)35-31-27-23-19-22-26-30-34-36(3)32-28-24-20-14-12-10-8-6-2/h36-37H,5-35H2,1-4H3
InChIKey
PSSMAPJMHCTOPI-UHFFFAOYSA-N
Compound name
11,21-dimethylpentatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.5947 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.60198 256.1
[M+Na]+ 543.58392 262.3
[M-H]- 519.58742 235.5
[M+NH4]+ 538.62852 254.2
[M+K]+ 559.55786 265.0
[M+H-H2O]+ 503.59196 248.1
[M+HCOO]- 565.59290 259.5
[M+CH3COO]- 579.60855 260.3
[M+Na-2H]- 541.56937 240.1
[M]+ 520.59415 257.3
[M]- 520.59525 257.3
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.