CID 4111962

2-benzoyl-1-cyclododecanone

Structural Information

Molecular Formula
C19H26O2
SMILES
C1CCCCCC(=O)C(CCCC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H26O2/c20-18-15-11-6-4-2-1-3-5-10-14-17(18)19(21)16-12-8-7-9-13-16/h7-9,12-13,17H,1-6,10-11,14-15H2
InChIKey
KYKFKHJDOGHZIA-UHFFFAOYSA-N
Compound name
2-benzoylcyclododecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.19327 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.200546 167.0
[M+Na]+ 309.182488 168.3
[M-H]- 285.185994 169.6
[M+NH4]+ 304.227093 178.8
[M+K]+ 325.156428 165.8
[M+H-H2O]+ 269.190530 162.4
[M+HCOO]- 331.191471 182.4
[M+CH3COO]- 345.207121 194.8
[M+Na-2H]- 307.167936 166.0
[M]+ 286.19272142 156.3
[M]- 286.19381858 156.3
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.