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]+ 131.10666 128.5
[M+Na]+ 153.08860 135.4
[M-H]- 129.09210 130.3
[M+NH4]+ 148.13320 146.9
[M+K]+ 169.06254 137.0
[M+H-H2O]+ 113.09664 122.0
[M+HCOO]- 175.09758 147.7
[M+CH3COO]- 189.11323 171.1
[M+Na-2H]- 151.07405 135.3
[M]+ 130.09883 136.1
[M]- 130.09993 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.