CID 99892

28664-08-6

Structural Information

Molecular Formula
C9H16O
SMILES
CC1(C2CCC(C1C2)O)C
InChI
InChI=1S/C9H16O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8,10H,3-5H2,1-2H3
InChIKey
DEDZBEBBIUTZAJ-UHFFFAOYSA-N
Compound name
6,6-dimethylbicyclo[3.1.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

282
Patents

140.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 140.5
[M+Na]+ 163.109338 146.5
[M-H]- 139.112844 139.1
[M+NH4]+ 158.153943 161.7
[M+K]+ 179.083278 147.2
[M+H-H2O]+ 123.117380 133.3
[M+HCOO]- 185.118321 152.9
[M+CH3COO]- 199.133971 181.4
[M+Na-2H]- 161.094786 150.0
[M]+ 140.11957142 150.4
[M]- 140.12066858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe