CID 44147094

Einecs 303-604-5

Structural Information

Molecular Formula
C13H22O2
SMILES
CC1CC(CC2(C1)CC(C(=O)O2)C)(C)C
InChI
InChI=1S/C13H22O2/c1-9-5-12(3,4)8-13(6-9)7-10(2)11(14)15-13/h9-10H,5-8H2,1-4H3
InChIKey
YSTZSVSNXHMVAV-UHFFFAOYSA-N
Compound name
3,7,7,9-tetramethyl-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 145.6
[M+Na]+ 233.151208 153.3
[M-H]- 209.154714 152.0
[M+NH4]+ 228.195813 169.9
[M+K]+ 249.125148 152.3
[M+H-H2O]+ 193.159250 142.0
[M+HCOO]- 255.160191 163.6
[M+CH3COO]- 269.175841 187.0
[M+Na-2H]- 231.136656 149.1
[M]+ 210.16144142 143.4
[M]- 210.16253858 143.4
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.