CID 171120350

Hippobutenolide b

Structural Information

Molecular Formula
C22H40O3
SMILES
CC(C)CCCCCCCCCCCCC[C@H](CC1=CC(=O)OC1)O
InChI
InChI=1S/C22H40O3/c1-19(2)14-12-10-8-6-4-3-5-7-9-11-13-15-21(23)16-20-17-22(24)25-18-20/h17,19,21,23H,3-16,18H2,1-2H3/t21-/m1/s1
InChIKey
WYVOALIYMFLHQJ-OAQYLSRUSA-N
Compound name
3-[(2R)-2-hydroxy-16-methylheptadecyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.29776 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.30504 198.2
[M+Na]+ 375.28698 199.1
[M-H]- 351.29048 198.5
[M+NH4]+ 370.33158 210.9
[M+K]+ 391.26092 196.1
[M+H-H2O]+ 335.29502 190.9
[M+HCOO]- 397.29596 214.0
[M+CH3COO]- 411.31161 216.0
[M+Na-2H]- 373.27243 193.4
[M]+ 352.29721 203.5
[M]- 352.29831 203.5
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.