CID 131017797

Rac-[(1r,4s,5r)-4,6,6-trimethylbicyclo[3.1.1]hept-2-en-2-yl]methanol

Structural Information

Molecular Formula
C11H18O
SMILES
C[C@@H]1C=C([C@H]2C[C@@H]1C2(C)C)CO
InChI
InChI=1S/C11H18O/c1-7-4-8(6-12)10-5-9(7)11(10,2)3/h4,7,9-10,12H,5-6H2,1-3H3/t7-,9+,10-/m1/s1
InChIKey
OHUPPTQAHLJIPN-FKTZTGRPSA-N
Compound name
[(1S,4R,5S)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 149.4
[M+Na]+ 189.12499 156.3
[M-H]- 165.12849 148.3
[M+NH4]+ 184.16959 169.9
[M+K]+ 205.09893 156.5
[M+H-H2O]+ 149.13303 142.0
[M+HCOO]- 211.13397 162.4
[M+CH3COO]- 225.14962 187.9
[M+Na-2H]- 187.11044 158.0
[M]+ 166.13522 161.7
[M]- 166.13632 161.7
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.