CID 18274

3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

Structural Information

Molecular Formula
C9H12O4
SMILES
CC1CC2(CC(OC2=O)C)C(=O)O1
InChI
InChI=1S/C9H12O4/c1-5-3-9(7(10)12-5)4-6(2)13-8(9)11/h5-6H,3-4H2,1-2H3
InChIKey
QAMHNBFRAXJYEI-UHFFFAOYSA-N
Compound name
3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 134.3
[M+Na]+ 207.062778 143.6
[M-H]- 183.066284 141.9
[M+NH4]+ 202.107383 157.8
[M+K]+ 223.036718 144.6
[M+H-H2O]+ 167.070820 131.8
[M+HCOO]- 229.071761 155.3
[M+CH3COO]- 243.087411 178.9
[M+Na-2H]- 205.048226 138.5
[M]+ 184.07301142 135.3
[M]- 184.07410858 135.3
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

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