CID 130766376

1-(hydroxymethyl)-3,3-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1(CC(C1)(CO)O)C
InChI
InChI=1S/C7H14O2/c1-6(2)3-7(9,4-6)5-8/h8-9H,3-5H2,1-2H3
InChIKey
SEFAXNIRMSPUJP-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-3,3-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 128.5
[M+Na]+ 153.088598 135.4
[M-H]- 129.092104 130.3
[M+NH4]+ 148.133203 146.9
[M+K]+ 169.062538 137.0
[M+H-H2O]+ 113.096640 122.0
[M+HCOO]- 175.097581 147.7
[M+CH3COO]- 189.113231 171.1
[M+Na-2H]- 151.074046 135.3
[M]+ 130.09883142 136.1
[M]- 130.09992858 136.1
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.