CID 493763

Hydroxymethyl-dimethyl-methylene-[?]ol

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3C24CCC(=C)[C@H](C3)C4)(C)CO)O
InChI
InChI=1S/C20H32O2/c1-13-6-9-20-11-14(13)10-15(20)4-5-16-18(2,12-21)17(22)7-8-19(16,20)3/h14-17,21-22H,1,4-12H2,2-3H3/t14-,15+,16+,17-,18+,19+,20?/m1/s1
InChIKey
FAXRAFUVSSBLGT-FBYNKPCYSA-N
Compound name
(2S,5R,6R,7R,10S,12R)-6-(hydroxymethyl)-2,6-dimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.24023 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 177.8
[M+Na]+ 327.22945 182.8
[M-H]- 303.23295 178.7
[M+NH4]+ 322.27405 202.4
[M+K]+ 343.20339 176.0
[M+H-H2O]+ 287.23749 172.3
[M+HCOO]- 349.23843 184.1
[M+CH3COO]- 363.25408 186.0
[M+Na-2H]- 325.21490 178.4
[M]+ 304.23968 169.9
[M]- 304.24078 169.9
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

No patent data available for this compound.