CID 121207792

[5-(hydroxymethyl)spiro[2.3]hexan-5-yl]methanol

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC12CC(C2)(CO)CO
InChI
InChI=1S/C8H14O2/c9-5-8(6-10)3-7(4-8)1-2-7/h9-10H,1-6H2
InChIKey
HKRJRXMNHKISEI-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)spiro[2.3]hexan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.7
[M+Na]+ 165.08860 138.8
[M-H]- 141.09210 135.4
[M+NH4]+ 160.13320 144.3
[M+K]+ 181.06254 140.0
[M+H-H2O]+ 125.09664 123.8
[M+HCOO]- 187.09758 149.4
[M+CH3COO]- 201.11323 175.6
[M+Na-2H]- 163.07405 138.7
[M]+ 142.09883 140.3
[M]- 142.09993 140.3
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.