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
2
Annotation Hits

0
References

1
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 145.7
[M+Na]+ 177.12499 152.0
[M-H]- 153.12849 144.3
[M+NH4]+ 172.16959 166.5
[M+K]+ 193.09893 152.6
[M+H-H2O]+ 137.13303 138.5
[M+HCOO]- 199.13397 157.6
[M+CH3COO]- 213.14962 185.4
[M+Na-2H]- 175.11044 153.8
[M]+ 154.13522 156.2
[M]- 154.13632 156.2
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