CID 6430414

3,7,11,15-tetramethyltritriacontane

Structural Information

Molecular Formula
C37H76
SMILES
CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CC
InChI
InChI=1S/C37H76/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-35(4)30-25-31-37(6)33-26-32-36(5)29-24-28-34(3)8-2/h34-37H,7-33H2,1-6H3
InChIKey
KLFUOQIKYGVIOC-UHFFFAOYSA-N
Compound name
3,7,11,15-tetramethyltritriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.5947 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.601976 254.1
[M+Na]+ 543.583918 261.3
[M-H]- 519.587424 236.7
[M+NH4]+ 538.628523 255.4
[M+K]+ 559.557858 265.1
[M+H-H2O]+ 503.591960 254.8
[M+HCOO]- 565.592901 252.9
[M+CH3COO]- 579.608551 261.6
[M+Na-2H]- 541.569366 239.5
[M]+ 520.59415142 255.4
[M]- 520.59524858 255.4
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.