CID 57483298

3-buten-2-ol, 4-(3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-inden-6-yl)-3-methyl-

Structural Information

Molecular Formula
C15H22O
SMILES
CC(/C(=C/C1CC2CC1C3C2C=CC3)/C)O
InChI
InChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3-4,6,10-16H,5,7-8H2,1-2H3/b9-6+
InChIKey
MHGHARBRHYWODA-RMKNXTFCSA-N
Compound name
(E)-3-methyl-4-(8-tricyclo[5.2.1.02,6]dec-3-enyl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

218.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.7
[M+Na]+ 241.15629 160.4
[M+NH4]+ 236.20089 163.1
[M+K]+ 257.13023 160.2
[M-H]- 217.15979 153.5
[M+Na-2H]- 239.14174 152.2
[M]+ 218.16652 154.2
[M]- 218.16762 154.2
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

patents stripe