CID 14616896

6-methyl-1-oxaspiro[2.5]octane

Structural Information

Molecular Formula
C8H14O
SMILES
CC1CCC2(CC1)CO2
InChI
InChI=1S/C8H14O/c1-7-2-4-8(5-3-7)6-9-8/h7H,2-6H2,1H3
InChIKey
QWEHPDHDKIVFDV-UHFFFAOYSA-N
Compound name
6-methyl-1-oxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

126.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.4
[M+Na]+ 149.09368 135.6
[M-H]- 125.09718 134.6
[M+NH4]+ 144.13828 145.7
[M+K]+ 165.06762 136.5
[M+H-H2O]+ 109.10172 122.1
[M+HCOO]- 171.10266 147.1
[M+CH3COO]- 185.11831 173.6
[M+Na-2H]- 147.07913 136.1
[M]+ 126.10391 127.1
[M]- 126.10501 127.1
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

patents stripe