CID 177802010

2-methylspiro[3.4]octan-5-one

Structural Information

Molecular Formula
C9H14O
SMILES
CC1CC2(C1)CCCC2=O
InChI
InChI=1S/C9H14O/c1-7-5-9(6-7)4-2-3-8(9)10/h7H,2-6H2,1H3
InChIKey
ILZRUAUKZNXXDS-UHFFFAOYSA-N
Compound name
2-methylspiro[3.4]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 124.9
[M+Na]+ 161.093678 131.4
[M-H]- 137.097184 130.9
[M+NH4]+ 156.138283 144.4
[M+K]+ 177.067618 132.5
[M+H-H2O]+ 121.101720 116.8
[M+HCOO]- 183.102661 146.1
[M+CH3COO]- 197.118311 176.2
[M+Na-2H]- 159.079126 129.9
[M]+ 138.10391142 130.7
[M]- 138.10500858 130.7
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.