CID 113496

Bicyclo(3.1.1)heptanol, 2,6,6-trimethyl-

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CCC2C(C1C2(C)C)O
InChI
InChI=1S/C10H18O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h6-9,11H,4-5H2,1-3H3
InChIKey
LSLAXGOPRFHADY-UHFFFAOYSA-N
Compound name
2,7,7-trimethylbicyclo[3.1.1]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 131.3
[M+Na]+ 177.12499 137.6
[M+NH4]+ 172.16959 139.7
[M+K]+ 193.09893 131.3
[M-H]- 153.12849 127.6
[M+Na-2H]- 175.11044 129.2
[M]+ 154.13522 130.2
[M]- 154.13632 130.2
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

No patent data available for this compound.