CID 6430429

4,8,16-trimethyltetratriacontane

Structural Information

Molecular Formula
C37H76
SMILES
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CCC
InChI
InChI=1S/C37H76/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-30-36(4)31-26-23-21-24-27-32-37(5)34-28-33-35(3)29-7-2/h35-37H,6-34H2,1-5H3
InChIKey
DYIKXRQRJAKMQM-UHFFFAOYSA-N
Compound name
4,8,16-trimethyltetratriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.5947 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.601976 255.1
[M+Na]+ 543.583918 261.8
[M-H]- 519.587424 236.1
[M+NH4]+ 538.628523 254.9
[M+K]+ 559.557858 265.1
[M+H-H2O]+ 503.591960 255.3
[M+HCOO]- 565.592901 256.2
[M+CH3COO]- 579.608551 260.9
[M+Na-2H]- 541.569366 239.8
[M]+ 520.59415142 256.4
[M]- 520.59524858 256.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.