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

34
Patents

218.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 160.4
[M+Na]+ 241.156288 166.0
[M-H]- 217.159794 162.7
[M+NH4]+ 236.200893 186.0
[M+K]+ 257.130228 162.2
[M+H-H2O]+ 201.164330 157.0
[M+HCOO]- 263.165271 176.9
[M+CH3COO]- 277.180921 189.7
[M+Na-2H]- 239.141736 157.3
[M]+ 218.16652142 158.1
[M]- 218.16761858 158.1
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