CID 131003005

5,5-dimethyl-1-oxaspiro[2.3]hexane

Structural Information

Molecular Formula
C7H12O
SMILES
CC1(CC2(C1)CO2)C
InChI
InChI=1S/C7H12O/c1-6(2)3-7(4-6)5-8-7/h3-5H2,1-2H3
InChIKey
NGLJGZDHFARIII-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1-oxaspiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 120.0
[M+Na]+ 135.07803 129.3
[M-H]- 111.08153 128.3
[M+NH4]+ 130.12263 135.0
[M+K]+ 151.05197 133.6
[M+H-H2O]+ 95.086070 112.7
[M+HCOO]- 157.08701 140.7
[M+CH3COO]- 171.10266 175.8
[M+Na-2H]- 133.06348 130.5
[M]+ 112.08826 131.8
[M]- 112.08936 131.8
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.