CID 6430413

3,7,11,15-tetramethylhentriacontane

Structural Information

Molecular Formula
C35H72
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CC
InChI
InChI=1S/C35H72/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33(4)28-23-29-35(6)31-24-30-34(5)27-22-26-32(3)8-2/h32-35H,7-31H2,1-6H3
InChIKey
CXJXEXGRXNLYLF-UHFFFAOYSA-N
Compound name
3,7,11,15-tetramethylhentriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

492.56342 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.57070 247.1
[M+Na]+ 515.55264 254.7
[M-H]- 491.55614 230.5
[M+NH4]+ 510.59724 248.6
[M+K]+ 531.52658 257.7
[M+H-H2O]+ 475.56068 242.1
[M+HCOO]- 537.56162 246.7
[M+CH3COO]- 551.57727 256.0
[M+Na-2H]- 513.53809 237.8
[M]+ 492.56287 248.7
[M]- 492.56397 248.7
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