CID 66366681

2,2-diethyl-3-methoxycyclobutan-1-ol

Structural Information

Molecular Formula
C9H18O2
SMILES
CCC1(C(CC1OC)O)CC
InChI
InChI=1S/C9H18O2/c1-4-9(5-2)7(10)6-8(9)11-3/h7-8,10H,4-6H2,1-3H3
InChIKey
WYWRFMVMTHVBHL-UHFFFAOYSA-N
Compound name
2,2-diethyl-3-methoxycyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 134.6
[M+Na]+ 181.119898 141.1
[M-H]- 157.123404 137.3
[M+NH4]+ 176.164503 151.0
[M+K]+ 197.093838 143.1
[M+H-H2O]+ 141.127940 126.5
[M+HCOO]- 203.128881 154.7
[M+CH3COO]- 217.144531 180.8
[M+Na-2H]- 179.105346 139.2
[M]+ 158.13013142 144.8
[M]- 158.13122858 144.8
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

No patent data available for this compound.