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]+ 137.096096 130.8
[M+Na]+ 159.078038 141.4
[M-H]- 135.081544 136.9
[M+NH4]+ 154.122643 154.8
[M+K]+ 175.051978 138.2
[M+H-H2O]+ 119.086080 127.2
[M+HCOO]- 181.087021 151.5
[M+CH3COO]- 195.102671 145.2
[M+Na-2H]- 157.063486 136.2
[M]+ 136.08827142 131.8
[M]- 136.08936858 131.8
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.