CID 6430435

6-methyltriacontane

Structural Information

Molecular Formula
C31H64
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
InChI
InChI=1S/C31H64/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-31(3)29-27-7-5-2/h31H,4-30H2,1-3H3
InChIKey
HBACSNOOZXESPA-UHFFFAOYSA-N
Compound name
6-methyltriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

436.5008 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.50808 231.5
[M+Na]+ 459.49002 228.1
[M-H]- 435.49352 227.0
[M+NH4]+ 454.53462 232.4
[M+K]+ 475.46396 221.7
[M+H-H2O]+ 419.49806 222.5
[M+HCOO]- 481.49900 243.6
[M+CH3COO]- 495.51465 242.6
[M+Na-2H]- 457.47547 223.9
[M]+ 436.50025 241.6
[M]- 436.50135 241.6
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