CID 56936181

4,8,12-trimethyltetratriacontane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

520.5947 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.60198 255.1
[M+Na]+ 543.58392 261.8
[M-H]- 519.58742 236.1
[M+NH4]+ 538.62852 254.9
[M+K]+ 559.55786 265.1
[M+H-H2O]+ 503.59196 255.3
[M+HCOO]- 565.59290 256.2
[M+CH3COO]- 579.60855 260.9
[M+Na-2H]- 541.56937 239.8
[M]+ 520.59415 256.4
[M]- 520.59525 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

patents stripe