CID 146155288

1-{spiro[2.4]heptan-5-yl}ethan-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
CC(=O)C1CCC2(C1)CC2
InChI
InChI=1S/C9H14O/c1-7(10)8-2-3-9(6-8)4-5-9/h8H,2-6H2,1H3
InChIKey
MPPPXWVFVWLWTC-UHFFFAOYSA-N
Compound name
1-spiro[2.4]heptan-6-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 130.9
[M+Na]+ 161.09368 139.6
[M-H]- 137.09718 137.4
[M+NH4]+ 156.13828 151.5
[M+K]+ 177.06762 138.1
[M+H-H2O]+ 121.10172 126.4
[M+HCOO]- 183.10266 152.3
[M+CH3COO]- 197.11831 176.3
[M+Na-2H]- 159.07913 135.7
[M]+ 138.10391 131.0
[M]- 138.10501 131.0
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.