CID 6430376

11,21-dimethyltritriacontane

Structural Information

Molecular Formula
C35H72
SMILES
CCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCC
InChI
InChI=1S/C35H72/c1-5-7-9-11-13-15-16-19-23-27-31-35(4)33-29-25-21-17-20-24-28-32-34(3)30-26-22-18-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKey
XTWFUIZBLNXGHB-UHFFFAOYSA-N
Compound name
11,21-dimethyltritriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

492.56342 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.57070 249.7
[M+Na]+ 515.55264 255.7
[M-H]- 491.55614 229.3
[M+NH4]+ 510.59724 247.3
[M+K]+ 531.52658 237.4
[M+H-H2O]+ 475.56068 240.1
[M+HCOO]- 537.56162 253.2
[M+CH3COO]- 551.57727 254.6
[M+Na-2H]- 513.53809 238.7
[M]+ 492.56287 250.6
[M]- 492.56397 250.6
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

patents stripe