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

1
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 178.1
[M+Na]+ 343.22436 186.1
[M-H]- 319.22786 181.3
[M+NH4]+ 338.26896 198.2
[M+K]+ 359.19830 182.9
[M+H-H2O]+ 303.23240 173.5
[M+HCOO]- 365.23334 181.1
[M+CH3COO]- 379.24899 186.6
[M+Na-2H]- 341.20981 182.0
[M]+ 320.23459 178.1
[M]- 320.23569 178.1
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

patents stripe