CID 12268269

Oxacyclohentriacontan-2-one

Structural Information

Molecular Formula
C30H58O2
SMILES
C1CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC1
InChI
InChI=1S/C30H58O2/c31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-30/h1-29H2
InChIKey
LUXOOAXTUCKCIT-UHFFFAOYSA-N
Compound name
oxacyclohentriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.4437 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.45098 211.2
[M+Na]+ 473.43292 201.1
[M-H]- 449.43642 212.1
[M+NH4]+ 468.47752 212.2
[M+K]+ 489.40686 199.8
[M+H-H2O]+ 433.44096 206.7
[M+HCOO]- 495.44190 212.6
[M+CH3COO]- 509.45755 210.9
[M+Na-2H]- 471.41837 201.7
[M]+ 450.44315 185.6
[M]- 450.44425 185.6
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.