CID 155821483

1-methoxyspiro[3.3]heptan-2-one

Structural Information

Molecular Formula
C8H12O2
SMILES
COC1C(=O)CC12CCC2
InChI
InChI=1S/C8H12O2/c1-10-7-6(9)5-8(7)3-2-4-8/h7H,2-5H2,1H3
InChIKey
ZAJVPPJNJROKBH-UHFFFAOYSA-N
Compound name
3-methoxyspiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 117.7
[M+Na]+ 163.072938 123.3
[M-H]- 139.076444 123.6
[M+NH4]+ 158.117543 128.3
[M+K]+ 179.046878 128.1
[M+H-H2O]+ 123.080980 105.8
[M+HCOO]- 185.081921 137.1
[M+CH3COO]- 199.097571 186.9
[M+Na-2H]- 161.058386 124.6
[M]+ 140.08317142 134.0
[M]- 140.08426858 134.0
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.