CID 12315540

Sideridiol

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1=CC23CC1CCC2C4(CCCC(C4CC3O)(C)CO)C
InChI
InChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-17,21-22H,4-9,11-12H2,1-3H3
InChIKey
BATFJLLEMUIAJD-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.24023 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 177.5
[M+Na]+ 327.22945 183.2
[M-H]- 303.23295 178.9
[M+NH4]+ 322.27405 202.3
[M+K]+ 343.20339 176.9
[M+H-H2O]+ 287.23749 171.8
[M+HCOO]- 349.23843 185.2
[M+CH3COO]- 363.25408 186.2
[M+Na-2H]- 325.21490 179.0
[M]+ 304.23968 171.7
[M]- 304.24078 171.7
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