CID 6430440

7,19-dimethylpentatriacontane

Structural Information

Molecular Formula
C37H76
SMILES
CCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CCCCCC
InChI
InChI=1S/C37H76/c1-5-7-9-11-12-13-14-15-16-17-19-22-25-30-34-37(4)35-31-27-24-21-18-20-23-26-29-33-36(3)32-28-10-8-6-2/h36-37H,5-35H2,1-4H3
InChIKey
WAXHIISIHIPPLA-UHFFFAOYSA-N
Compound name
7,19-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]+ 521.601976 256.1
[M+Na]+ 543.583918 262.3
[M-H]- 519.587424 235.5
[M+NH4]+ 538.628523 254.2
[M+K]+ 559.557858 265.0
[M+H-H2O]+ 503.591960 248.1
[M+HCOO]- 565.592901 259.5
[M+CH3COO]- 579.608551 260.3
[M+Na-2H]- 541.569366 240.1
[M]+ 520.59415142 257.3
[M]- 520.59524858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.