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]+ 113.096086 120.0
[M+Na]+ 135.078028 129.3
[M-H]- 111.081534 128.3
[M+NH4]+ 130.122633 135.0
[M+K]+ 151.051968 133.6
[M+H-H2O]+ 95.086070 112.7
[M+HCOO]- 157.087011 140.7
[M+CH3COO]- 171.102661 175.8
[M+Na-2H]- 133.063476 130.5
[M]+ 112.08826142 131.8
[M]- 112.08935858 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.