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

899
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

literature stripe

Patent stripe

patents stripe