CID 56936234

10-nonacosen-2-one

Structural Information

Molecular Formula
C29H56O
SMILES
CCCCCCCCCCCCCCCCCC/C=C/CCCCCCCC(=O)C
InChI
InChI=1S/C29H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)30/h20-21H,3-19,22-28H2,1-2H3/b21-20+
InChIKey
LONCPMWQIIGJTP-QZQOTICOSA-N
Compound name
(E)-nonacos-10-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.4331 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.44038 222.8
[M+Na]+ 443.42232 220.9
[M-H]- 419.42582 218.7
[M+NH4]+ 438.46692 222.8
[M+K]+ 459.39626 214.3
[M+H-H2O]+ 403.43036 214.2
[M+HCOO]- 465.43130 235.0
[M+CH3COO]- 479.44695 236.3
[M+Na-2H]- 441.40777 216.4
[M]+ 420.43255 232.1
[M]- 420.43365 232.1
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.