CID 12300138

Decahydro-2-isopropenyl-8-methylazulene-4-methanol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCCC(C2C1CC(C2)C(=C)C)CO
InChI
InChI=1S/C15H26O/c1-10(2)13-7-14-11(3)5-4-6-12(9-16)15(14)8-13/h11-16H,1,4-9H2,2-3H3
InChIKey
FESUBAPWUIYMFG-UHFFFAOYSA-N
Compound name
(8-methyl-2-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 152.2
[M+Na]+ 245.187578 155.0
[M-H]- 221.191084 155.5
[M+NH4]+ 240.232183 171.6
[M+K]+ 261.161518 154.8
[M+H-H2O]+ 205.195620 148.2
[M+HCOO]- 267.196561 166.9
[M+CH3COO]- 281.212211 192.4
[M+Na-2H]- 243.173026 150.4
[M]+ 222.19781142 144.4
[M]- 222.19890858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.