CID 12413

Pentatriacontane

Structural Information

Molecular Formula
C35H72
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
VHQQPFLOGSTQPC-UHFFFAOYSA-N
Compound name
pentatriacontane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1527
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 246.6
[M+Na]+ 515.55264 241.7
[M-H]- 491.55614 227.7
[M+NH4]+ 510.59724 245.7
[M+K]+ 531.52658 233.8
[M+H-H2O]+ 475.56068 236.7
[M+HCOO]- 537.56162 259.4
[M+CH3COO]- 551.57727 253.4
[M+Na-2H]- 513.53809 238.2
[M]+ 492.56287 252.1
[M]- 492.56397 252.1
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