CID 134451841

1-oxadispiro[2.2.2^{6}.2^{3}]decane

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC12CCC3(CC2)CO3
InChI
InChI=1S/C9H14O/c1-2-8(1)3-5-9(6-4-8)7-10-9/h1-7H2
InChIKey
FPBDEBMUNWEBRD-UHFFFAOYSA-N
Compound name
8-oxadispiro[2.2.26.23]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 145.4
[M+Na]+ 161.09368 152.2
[M-H]- 137.09718 153.9
[M+NH4]+ 156.13828 157.8
[M+K]+ 177.06762 155.8
[M+H-H2O]+ 121.10172 140.7
[M+HCOO]- 183.10266 161.0
[M+CH3COO]- 197.11831 156.1
[M+Na-2H]- 159.07913 152.4
[M]+ 138.10391 146.5
[M]- 138.10501 146.5
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