CID 131751120

Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2h-pyran-2-one

Structural Information

Molecular Formula
C34H66O3
SMILES
CCCCCCCC(C)CCC(C)CCCCCCCCCCCCCC(CC1CC(CC(=O)O1)C)O
InChI
InChI=1S/C34H66O3/c1-5-6-7-15-18-21-29(2)24-25-30(3)22-19-16-13-11-9-8-10-12-14-17-20-23-32(35)28-33-26-31(4)27-34(36)37-33/h29-33,35H,5-28H2,1-4H3
InChIKey
JYPKFERLDBSINL-UHFFFAOYSA-N
Compound name
6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.5012 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.50848 250.5
[M+Na]+ 545.49042 245.1
[M-H]- 521.49392 248.0
[M+NH4]+ 540.53502 243.1
[M+K]+ 561.46436 240.3
[M+H-H2O]+ 505.49846 241.1
[M+HCOO]- 567.49940 253.3
[M+CH3COO]- 581.51505 253.8
[M+Na-2H]- 543.47587 238.0
[M]+ 522.50065 256.4
[M]- 522.50175 256.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.