CID 154824255

5,9-dihydroxycasbene

Structural Information

Molecular Formula
C20H32O2
SMILES
C/C/1=C\CC(/C(=C/CC(/C(=C/[C@@H]2[C@@H](C2(C)C)CC1)/C)O)/C)O
InChI
InChI=1S/C20H32O2/c1-13-6-9-16-17(20(16,4)5)12-15(3)19(22)11-8-14(2)18(21)10-7-13/h7-8,12,16-19,21-22H,6,9-11H2,1-5H3/b13-7+,14-8+,15-12+/t16-,17+,18?,19?/m0/s1
InChIKey
GJAXTHSJTDLRTP-YTHUXUQLSA-N
Compound name
(1R,2E,6E,10E,14S)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 166.4
[M+Na]+ 327.229448 175.5
[M-H]- 303.232954 168.5
[M+NH4]+ 322.274053 177.3
[M+K]+ 343.203388 172.5
[M+H-H2O]+ 287.237490 166.2
[M+HCOO]- 349.238431 181.1
[M+CH3COO]- 363.254081 202.4
[M+Na-2H]- 325.214896 166.3
[M]+ 304.23968142 165.8
[M]- 304.24077858 165.8
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.