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

3
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.7
[M+Na]+ 245.187578 159.2
[M-H]- 221.191084 156.7
[M+NH4]+ 240.232183 175.7
[M+K]+ 261.161518 155.8
[M+H-H2O]+ 205.195620 149.9
[M+HCOO]- 267.196561 167.6
[M+CH3COO]- 281.212211 191.2
[M+Na-2H]- 243.173026 155.2
[M]+ 222.19781142 147.9
[M]- 222.19890858 147.9
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

patents stripe