CID 163010424

Oxacyclotritriacontan-2-one

Structural Information

Molecular Formula
C32H62O2
SMILES
C1CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCC1
InChI
InChI=1S/C32H62O2/c33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32/h1-31H2
InChIKey
IMXSJYPRWNZWHX-UHFFFAOYSA-N
Compound name
oxacyclotritriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.47498 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.48226 216.8
[M+Na]+ 501.46420 205.5
[M-H]- 477.46770 217.6
[M+NH4]+ 496.50880 216.4
[M+K]+ 517.43814 204.0
[M+H-H2O]+ 461.47224 212.2
[M+HCOO]- 523.47318 216.6
[M+CH3COO]- 537.48883 215.4
[M+Na-2H]- 499.44965 206.1
[M]+ 478.47443 189.6
[M]- 478.47553 189.6
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.