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]+ 287.20055 167.0
[M+Na]+ 309.18249 168.3
[M-H]- 285.18599 169.6
[M+NH4]+ 304.22709 178.8
[M+K]+ 325.15643 165.8
[M+H-H2O]+ 269.19053 162.4
[M+HCOO]- 331.19147 182.4
[M+CH3COO]- 345.20712 194.8
[M+Na-2H]- 307.16794 166.0
[M]+ 286.19272 156.3
[M]- 286.19382 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.