CID 12315549

Ucriol

Structural Information

Molecular Formula
C20H32O3
SMILES
CC1(CCCC2(C1CC(C34C2CCC(C3)C5(C4O5)C)O)C)CO
InChI
InChI=1S/C20H32O3/c1-17(11-21)7-4-8-18(2)13-6-5-12-10-20(13,15(22)9-14(17)18)16-19(12,3)23-16/h12-16,21-22H,4-11H2,1-3H3
InChIKey
BDWKHKXSYDEDRO-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.23514 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 178.2
[M+Na]+ 343.22436 188.5
[M+NH4]+ 338.26896 193.9
[M+K]+ 359.19830 178.2
[M-H]- 319.22786 188.4
[M+Na-2H]- 341.20981 183.3
[M]+ 320.23459 184.4
[M]- 320.23569 184.4
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.