CID 71757894

3-methoxy-2-methylspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1C(C2(C1=O)CCC2)OC
InChI
InChI=1S/C9H14O2/c1-6-7(10)9(4-3-5-9)8(6)11-2/h6,8H,3-5H2,1-2H3
InChIKey
PJUMGKXWUAKDEI-UHFFFAOYSA-N
Compound name
1-methoxy-2-methylspiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 136.7
[M+Na]+ 177.08860 138.6
[M+NH4]+ 172.13320 138.7
[M+K]+ 193.06254 135.7
[M-H]- 153.09210 133.4
[M+Na-2H]- 175.07405 137.6
[M]+ 154.09883 133.9
[M]- 154.09993 133.9
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.