CID 573015

10-epijunenol

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC(C)C1CCC2(CCCC(=C)C2C1O)C

InChI

InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3

InChIKey

MSJJKJCIFIGTJY-UHFFFAOYSA-N

Compound name

4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 222.19836 Da
Monoisotopic Mass: 4.2
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]+	223.20564	154.7
[M+Na]+	245.18758	159.2
[M-H]-	221.19108	156.7
[M+NH4]+	240.23218	175.7
[M+K]+	261.16152	155.8
[M+H-H2O]+	205.19562	149.9
[M+HCOO]-	267.19656	167.6
[M+CH3COO]-	281.21221	191.2
[M+Na-2H]-	243.17303	155.2
[M]+	222.19781	147.9
[M]-	222.19891	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe