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 122.2
[M+Na]+ 177.08860 128.1
[M-H]- 153.09210 128.2
[M+NH4]+ 172.13320 132.5
[M+K]+ 193.06254 132.7
[M+H-H2O]+ 137.09664 110.4
[M+HCOO]- 199.09758 141.2
[M+CH3COO]- 213.11323 190.5
[M+Na-2H]- 175.07405 127.9
[M]+ 154.09883 139.1
[M]- 154.09993 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.