CID 123206707

2-(oxiran-2-yl)oxane

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CCOC(C1)C2CO2
InChI
InChI=1S/C7H12O2/c1-2-4-8-6(3-1)7-5-9-7/h6-7H,1-5H2
InChIKey
AOBPJRUSKYFWDU-UHFFFAOYSA-N
Compound name
2-(oxiran-2-yl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

128.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.3
[M+Na]+ 151.07294 132.7
[M-H]- 127.07644 133.7
[M+NH4]+ 146.11754 139.7
[M+K]+ 167.04688 134.6
[M+H-H2O]+ 111.08098 118.7
[M+HCOO]- 173.08192 145.0
[M+CH3COO]- 187.09757 172.9
[M+Na-2H]- 149.05839 134.0
[M]+ 128.08317 125.6
[M]- 128.08427 125.6
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