CID 15934381

(1r,3as,8ar)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1
InChI
InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h9-10,13-14,16H,3,5-8H2,1-2,4H3/t13-,14-,15-/m1/s1
InChIKey
BUPJOLXWQXEJSQ-RBSFLKMASA-N
Compound name
(1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 150.0
[M+Na]+ 243.17193 154.8
[M-H]- 219.17543 154.0
[M+NH4]+ 238.21653 171.5
[M+K]+ 259.14587 154.1
[M+H-H2O]+ 203.17997 146.5
[M+HCOO]- 265.18091 166.1
[M+CH3COO]- 279.19656 191.6
[M+Na-2H]- 241.15738 150.2
[M]+ 220.18216 143.8
[M]- 220.18326 143.8
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.