CID 13699934

1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-one

Structural Information

Molecular Formula
C10H16O3
SMILES
CC1(C(=O)C(C12OCCO2)(C)C)C
InChI
InChI=1S/C10H16O3/c1-8(2)7(11)9(3,4)10(8)12-5-6-13-10/h5-6H2,1-4H3
InChIKey
RGBNKTRKIUYQQG-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 128.7
[M+Na]+ 207.09916 137.2
[M-H]- 183.10266 136.8
[M+NH4]+ 202.14376 148.1
[M+K]+ 223.07310 141.1
[M+H-H2O]+ 167.10720 123.7
[M+HCOO]- 229.10814 148.1
[M+CH3COO]- 243.12379 184.0
[M+Na-2H]- 205.08461 137.5
[M]+ 184.10939 140.2
[M]- 184.11049 140.2
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.