CID 23599

Octatriacontane

Structural Information

Molecular Formula
C38H78
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChIKey
BVKCQBBZBGYNOP-UHFFFAOYSA-N
Compound name
octatriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

921
Patents

534.61035 Da
Monoisotopic Mass

20.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.61763 261.3
[M+Na]+ 557.59957 266.1
[M-H]- 533.60307 237.0
[M+NH4]+ 552.64417 256.0
[M+K]+ 573.57351 268.2
[M+H-H2O]+ 517.60761 248.3
[M+HCOO]- 579.60855 268.7
[M+CH3COO]- 593.62420 261.8
[M+Na-2H]- 555.58502 243.4
[M]+ 534.60980 262.2
[M]- 534.61090 262.2
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