CID 132327703

4-(oxiran-2-yl)oxan-4-ol

Structural Information

Molecular Formula
C7H12O3
SMILES
C1COCCC1(C2CO2)O
InChI
InChI=1S/C7H12O3/c8-7(6-5-10-6)1-3-9-4-2-7/h6,8H,1-5H2
InChIKey
MAIDVHVZVTXOOB-UHFFFAOYSA-N
Compound name
4-(oxiran-2-yl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

144.07864 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 128.6
[M+Na]+ 167.06786 136.3
[M-H]- 143.07136 136.1
[M+NH4]+ 162.11246 143.7
[M+K]+ 183.04180 138.5
[M+H-H2O]+ 127.07590 123.3
[M+HCOO]- 189.07684 146.7
[M+CH3COO]- 203.09249 172.0
[M+Na-2H]- 165.05331 138.0
[M]+ 144.07809 129.2
[M]- 144.07919 129.2
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