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]+ 143.143046 132.4
[M+Na]+ 165.124988 137.9
[M-H]- 141.128494 134.7
[M+NH4]+ 160.169593 147.4
[M+K]+ 181.098928 139.7
[M+H-H2O]+ 125.133030 123.5
[M+HCOO]- 187.133971 150.8
[M+CH3COO]- 201.149621 177.9
[M+Na-2H]- 163.110436 137.2
[M]+ 142.13522142 139.9
[M]- 142.13631858 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