CID 549135

Spiro[4.4]nonan-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCC2(C1)CCCC2=O
InChI
InChI=1S/C9H14O/c10-8-4-3-7-9(8)5-1-2-6-9/h1-7H2
InChIKey
QRYJGVNQNLCGGZ-UHFFFAOYSA-N
Compound name
spiro[4.4]nonan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 132.4
[M+Na]+ 161.093678 138.7
[M-H]- 137.097184 137.6
[M+NH4]+ 156.138283 159.4
[M+K]+ 177.067618 137.1
[M+H-H2O]+ 121.101720 127.8
[M+HCOO]- 183.102661 154.4
[M+CH3COO]- 197.118311 170.0
[M+Na-2H]- 159.079126 135.6
[M]+ 138.10391142 127.1
[M]- 138.10500858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe