CID 121552589

3-methoxyspiro[3.3]heptan-1-ol

Structural Information

Molecular Formula
C8H14O2
SMILES
COC1CC(C12CCC2)O
InChI
InChI=1S/C8H14O2/c1-10-7-5-6(9)8(7)3-2-4-8/h6-7,9H,2-5H2,1H3
InChIKey
AAGHXCGCSWYTMW-UHFFFAOYSA-N
Compound name
3-methoxyspiro[3.3]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 121.0
[M+Na]+ 165.08860 125.9
[M-H]- 141.09210 125.6
[M+NH4]+ 160.13320 130.9
[M+K]+ 181.06254 130.4
[M+H-H2O]+ 125.09664 109.0
[M+HCOO]- 187.09758 138.8
[M+CH3COO]- 201.11323 185.3
[M+Na-2H]- 163.07405 127.2
[M]+ 142.09883 136.2
[M]- 142.09993 136.2
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.