CID 14681633

Siderone

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1=CC23CC1CCC2C4(CCCC(C4CC3=O)(C)CO)C
InChI
InChI=1S/C20H30O2/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/h10,14-16,21H,4-9,11-12H2,1-3H3
InChIKey
CTULHRFLFQFJDU-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

302.22458 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.5
[M+Na]+ 325.21380 181.7
[M-H]- 301.21730 178.2
[M+NH4]+ 320.25840 200.9
[M+K]+ 341.18774 175.7
[M+H-H2O]+ 285.22184 169.4
[M+HCOO]- 347.22278 184.8
[M+CH3COO]- 361.23843 184.9
[M+Na-2H]- 323.19925 177.3
[M]+ 302.22403 170.7
[M]- 302.22513 170.7
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