CID 78409356

4beta-8-daucen-4-ol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CCC2(CCC(C2CC1)(C(C)C)O)C
InChI
InChI=1S/C15H26O/c1-11(2)15(16)10-9-14(4)8-7-12(3)5-6-13(14)15/h7,11,13,16H,5-6,8-10H2,1-4H3
InChIKey
HTJLBKLQZZOCAC-UHFFFAOYSA-N
Compound name
3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 151.4
[M+Na]+ 245.18758 156.0
[M-H]- 221.19108 155.3
[M+NH4]+ 240.23218 174.4
[M+K]+ 261.16152 155.3
[M+H-H2O]+ 205.19562 147.8
[M+HCOO]- 267.19656 167.2
[M+CH3COO]- 281.21221 191.0
[M+Na-2H]- 243.17303 153.1
[M]+ 222.19781 145.7
[M]- 222.19891 145.7
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

No patent data available for this compound.