CID 6454875

4,4,6-trimethylbicyclo[4.2.0]octan-2-ol

Structural Information

Molecular Formula
C11H20O
SMILES
CC1(CC(C2CCC2(C1)C)O)C
InChI
InChI=1S/C11H20O/c1-10(2)6-9(12)8-4-5-11(8,3)7-10/h8-9,12H,4-7H2,1-3H3
InChIKey
QBYGJIFLSINRLO-UHFFFAOYSA-N
Compound name
4,4,6-trimethylbicyclo[4.2.0]octan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 138.9
[M+Na]+ 191.140628 145.3
[M-H]- 167.144134 142.3
[M+NH4]+ 186.185233 157.8
[M+K]+ 207.114568 145.9
[M+H-H2O]+ 151.148670 131.5
[M+HCOO]- 213.149611 155.3
[M+CH3COO]- 227.165261 182.6
[M+Na-2H]- 189.126076 144.6
[M]+ 168.15086142 144.8
[M]- 168.15195858 144.8
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