CID 25200852

Dehydroabietadiene-diol

Structural Information

Molecular Formula

C₂₀H₃₀O₂

SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)C(O)O)C

InChI

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17-18,21-22H,5,7,9-11H2,1-4H3/t17?,19-,20-/m1/s1

InChIKey

VAXDGLVOSGCOMC-IPNZSQQUSA-N

Compound name

[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanediol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 302.22458 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.231856	176.0
[M+Na]+	325.213798	180.6
[M-H]-	301.217304	177.4
[M+NH4]+	320.258403	195.7
[M+K]+	341.187738	176.3
[M+H-H2O]+	285.221840	170.2
[M+HCOO]-	347.222781	185.7
[M+CH3COO]-	361.238431	204.5
[M+Na-2H]-	323.199246	177.2
[M]+	302.22403142	171.2
[M]-	302.22512858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.