CID 66366890

3-methoxy-2,2-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1(C(CC1OC)O)C
InChI
InChI=1S/C7H14O2/c1-7(2)5(8)4-6(7)9-3/h5-6,8H,4H2,1-3H3
InChIKey
KPEQWKNUQXHLHA-UHFFFAOYSA-N
Compound name
3-methoxy-2,2-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 125.2
[M+Na]+ 153.08860 132.6
[M-H]- 129.09210 128.3
[M+NH4]+ 148.13320 142.7
[M+K]+ 169.06254 135.1
[M+H-H2O]+ 113.09664 117.5
[M+HCOO]- 175.09758 146.0
[M+CH3COO]- 189.11323 175.0
[M+Na-2H]- 151.07405 131.0
[M]+ 130.09883 134.7
[M]- 130.09993 134.7
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