CID 23598

Heptatriacontane

Structural Information

Molecular Formula
C37H76
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
InChIKey
PXEZIKSRSYGOED-UHFFFAOYSA-N
Compound name
heptatriacontane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

874
Patents

520.5947 Da
Monoisotopic Mass

19.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.60198 257.8
[M+Na]+ 543.58392 262.8
[M-H]- 519.58742 233.9
[M+NH4]+ 538.62852 252.6
[M+K]+ 559.55786 264.5
[M+H-H2O]+ 503.59196 244.5
[M+HCOO]- 565.59290 265.6
[M+CH3COO]- 579.60855 259.0
[M+Na-2H]- 541.56937 245.4
[M]+ 520.59415 258.9
[M]- 520.59525 258.9
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

No patent data available for this compound.