CID 56936175

31-methyl-6-dotricontene

Structural Information

Molecular Formula
C33H66
SMILES
CCCCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C33H66/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(2)3/h8-9,33H,4-7,10-32H2,1-3H3/b9-8+
InChIKey
HXYFZNROGVONPX-CMDGGOBGSA-N
Compound name
(E)-31-methyldotriacont-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.51645 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.52373 238.3
[M+Na]+ 485.50567 234.6
[M-H]- 461.50917 233.5
[M+NH4]+ 480.55027 237.3
[M+K]+ 501.47961 227.0
[M+H-H2O]+ 445.51371 229.2
[M+HCOO]- 507.51465 248.4
[M+CH3COO]- 521.53030 246.9
[M+Na-2H]- 483.49112 229.8
[M]+ 462.51590 248.4
[M]- 462.51700 248.4
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.