CID 56936194

5-methyldotriacontane

Structural Information

Molecular Formula
C33H68
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC
InChI
InChI=1S/C33H68/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33(3)31-7-5-2/h33H,4-32H2,1-3H3
InChIKey
RBCANHJLILDDBZ-UHFFFAOYSA-N
Compound name
5-methyldotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.5321 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.53938 239.9
[M+Na]+ 487.52132 235.8
[M-H]- 463.52482 235.0
[M+NH4]+ 482.56592 239.5
[M+K]+ 503.49526 228.8
[M+H-H2O]+ 447.52936 230.6
[M+HCOO]- 509.53030 250.0
[M+CH3COO]- 523.54595 248.3
[M+Na-2H]- 485.50677 231.3
[M]+ 464.53155 250.8
[M]- 464.53265 250.8
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.