CID 69030589

3-cyclobutylcyclobutan-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CC(C1)C2CC(C2)O
InChI
InChI=1S/C8H14O/c9-8-4-7(5-8)6-2-1-3-6/h6-9H,1-5H2
InChIKey
RYUKXWYBSSRIDG-UHFFFAOYSA-N
Compound name
3-cyclobutylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 116.5
[M+Na]+ 149.093678 120.2
[M-H]- 125.097184 121.4
[M+NH4]+ 144.138283 124.7
[M+K]+ 165.067618 124.7
[M+H-H2O]+ 109.101720 103.0
[M+HCOO]- 171.102661 134.2
[M+CH3COO]- 185.118311 183.7
[M+Na-2H]- 147.079126 121.4
[M]+ 126.10391142 129.5
[M]- 126.10500858 129.5
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