CID 12308376

1-oxaspiro[5.5]undec-2-en-4-one

Structural Information

Molecular Formula
C10H14O2
SMILES
C1CCC2(CC1)CC(=O)C=CO2
InChI
InChI=1S/C10H14O2/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h4,7H,1-3,5-6,8H2
InChIKey
ZXEKRGHNCVDXPC-UHFFFAOYSA-N
Compound name
1-oxaspiro[5.5]undec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 134.5
[M+Na]+ 189.08860 139.7
[M-H]- 165.09210 140.1
[M+NH4]+ 184.13320 155.6
[M+K]+ 205.06254 139.4
[M+H-H2O]+ 149.09664 128.7
[M+HCOO]- 211.09758 152.8
[M+CH3COO]- 225.11323 174.8
[M+Na-2H]- 187.07405 142.3
[M]+ 166.09883 128.9
[M]- 166.09993 128.9
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

patents stripe