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]+ 155.106656 122.2
[M+Na]+ 177.088598 128.1
[M-H]- 153.092104 128.2
[M+NH4]+ 172.133203 132.5
[M+K]+ 193.062538 132.7
[M+H-H2O]+ 137.096640 110.4
[M+HCOO]- 199.097581 141.2
[M+CH3COO]- 213.113231 190.5
[M+Na-2H]- 175.074046 127.9
[M]+ 154.09883142 139.1
[M]- 154.09992858 139.1
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.