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]+ 521.60198 254.1
[M+Na]+ 543.58392 261.3
[M-H]- 519.58742 236.7
[M+NH4]+ 538.62852 255.4
[M+K]+ 559.55786 265.1
[M+H-H2O]+ 503.59196 254.8
[M+HCOO]- 565.59290 252.9
[M+CH3COO]- 579.60855 261.6
[M+Na-2H]- 541.56937 239.5
[M]+ 520.59415 255.4
[M]- 520.59525 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.