CID 71598030

N-dotriacont-9-one-13-ene

Structural Information

Molecular Formula
C32H62O
SMILES
CCCCCCCCCCCCCCCCCC/C=C/CCCC(=O)CCCCCCCC
InChI
InChI=1S/C32H62O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32(33)30-28-26-10-8-6-4-2/h24-25H,3-23,26-31H2,1-2H3/b25-24+
InChIKey
QMIWFSHEADWSAP-OCOZRVBESA-N
Compound name
(E)-dotriacont-13-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.48007 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.48735 235.5
[M+Na]+ 485.46929 232.4
[M-H]- 461.47279 217.2
[M+NH4]+ 480.51389 233.4
[M+K]+ 501.44323 225.0
[M+H-H2O]+ 445.47733 226.4
[M+HCOO]- 507.47827 244.7
[M+CH3COO]- 521.49392 245.0
[M+Na-2H]- 483.45474 227.5
[M]+ 462.47952 236.7
[M]- 462.48062 236.7
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

No patent data available for this compound.