CID 12395962

2,2-dimethyloxane

Structural Information

Molecular Formula
C7H14O
SMILES
CC1(CCCCO1)C
InChI
InChI=1S/C7H14O/c1-7(2)5-3-4-6-8-7/h3-6H2,1-2H3
InChIKey
SWZUJPXFLKZGLI-UHFFFAOYSA-N
Compound name
2,2-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1586
Patents

114.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 122.6
[M+Na]+ 137.09368 128.7
[M-H]- 113.09718 126.6
[M+NH4]+ 132.13828 145.9
[M+K]+ 153.06762 129.9
[M+H-H2O]+ 97.101720 118.3
[M+HCOO]- 159.10266 142.8
[M+CH3COO]- 173.11831 167.9
[M+Na-2H]- 135.07913 131.1
[M]+ 114.10391 119.8
[M]- 114.10501 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe