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]+ 155.143046 145.7
[M+Na]+ 177.124988 152.0
[M-H]- 153.128494 144.3
[M+NH4]+ 172.169593 166.5
[M+K]+ 193.098928 152.6
[M+H-H2O]+ 137.133030 138.5
[M+HCOO]- 199.133971 157.6
[M+CH3COO]- 213.149621 185.4
[M+Na-2H]- 175.110436 153.8
[M]+ 154.13522142 156.2
[M]- 154.13631858 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