CID 66598008

3-(2,2-dimethylpropyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(C)(C)CC1CC(C1)O
InChI
InChI=1S/C9H18O/c1-9(2,3)6-7-4-8(10)5-7/h7-8,10H,4-6H2,1-3H3
InChIKey
XWLJMOLVICIJPV-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

142.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 132.4
[M+Na]+ 165.12499 137.9
[M-H]- 141.12849 134.7
[M+NH4]+ 160.16959 147.4
[M+K]+ 181.09893 139.7
[M+H-H2O]+ 125.13303 123.5
[M+HCOO]- 187.13397 150.8
[M+CH3COO]- 201.14962 177.9
[M+Na-2H]- 163.11044 137.2
[M]+ 142.13522 139.9
[M]- 142.13632 139.9
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