CID 118997518

(3,3-dimethoxy-1-methylcyclobutyl)methanol

Structural Information

Molecular Formula
C8H16O3
SMILES
CC1(CC(C1)(OC)OC)CO
InChI
InChI=1S/C8H16O3/c1-7(6-9)4-8(5-7,10-2)11-3/h9H,4-6H2,1-3H3
InChIKey
NKZNXZJFORUJLZ-UHFFFAOYSA-N
Compound name
(3,3-dimethoxy-1-methylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

160.10994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 133.4
[M+Na]+ 183.099158 140.2
[M-H]- 159.102664 136.4
[M+NH4]+ 178.143763 151.3
[M+K]+ 199.073098 143.0
[M+H-H2O]+ 143.107200 126.4
[M+HCOO]- 205.108141 154.1
[M+CH3COO]- 219.123791 178.5
[M+Na-2H]- 181.084606 140.5
[M]+ 160.10939142 144.7
[M]- 160.11048858 144.7
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