CID 14947932

Spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-5-one

Structural Information

Molecular Formula
C9H12O
SMILES
C1CC12CC3CC2CC3=O
InChI
InChI=1S/C9H12O/c10-8-4-7-3-6(8)5-9(7)1-2-9/h6-7H,1-5H2
InChIKey
YRQDTAYXJIRZBB-UHFFFAOYSA-N
Compound name
spiro[bicyclo[2.2.1]heptane-5,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.08882 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 131.8
[M+Na]+ 159.07804 143.0
[M+NH4]+ 154.12264 144.1
[M+K]+ 175.05198 139.4
[M-H]- 135.08154 140.4
[M+Na-2H]- 157.06349 138.2
[M]+ 136.08827 136.9
[M]- 136.08937 136.9
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.