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]+ 159.13796 134.6
[M+Na]+ 181.11990 141.1
[M-H]- 157.12340 137.3
[M+NH4]+ 176.16450 151.0
[M+K]+ 197.09384 143.1
[M+H-H2O]+ 141.12794 126.5
[M+HCOO]- 203.12888 154.7
[M+CH3COO]- 217.14453 180.8
[M+Na-2H]- 179.10535 139.2
[M]+ 158.13013 144.8
[M]- 158.13123 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.