CID 27205

Podocarpa-8,11,13-trien-12-ol

Structural Information

Molecular Formula

C₁₇H₂₄O

SMILES

CC1(CCCC2(C1CCC3=C2C=C(C=C3)O)C)C

InChI

InChI=1S/C17H24O/c1-16(2)9-4-10-17(3)14-11-13(18)7-5-12(14)6-8-15(16)17/h5,7,11,15,18H,4,6,8-10H2,1-3H3

InChIKey

DVRNZIIXOYTWET-UHFFFAOYSA-N

Compound name

4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.18271 Da
Monoisotopic Mass: 5.6
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]+	245.189986	158.7
[M+Na]+	267.171928	165.9
[M-H]-	243.175434	162.3
[M+NH4]+	262.216533	181.9
[M+K]+	283.145868	161.2
[M+H-H2O]+	227.179970	152.6
[M+HCOO]-	289.180911	173.0
[M+CH3COO]-	303.196561	169.9
[M+Na-2H]-	265.157376	164.2
[M]+	244.18216142	154.4
[M]-	244.18325858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe