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]+ 141.09100 117.7
[M+Na]+ 163.07294 123.3
[M-H]- 139.07644 123.6
[M+NH4]+ 158.11754 128.3
[M+K]+ 179.04688 128.1
[M+H-H2O]+ 123.08098 105.8
[M+HCOO]- 185.08192 137.1
[M+CH3COO]- 199.09757 186.9
[M+Na-2H]- 161.05839 124.6
[M]+ 140.08317 134.0
[M]- 140.08427 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.