CID 217635

39079-58-8

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC(OCC1C2CO2)C3CO3
InChI
InChI=1S/C9H14O3/c1-2-7(9-5-12-9)10-3-6(1)8-4-11-8/h6-9H,1-5H2
InChIKey
VOPZIIJKXUKTCS-UHFFFAOYSA-N
Compound name
2,5-bis(oxiran-2-yl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 144.9
[M+Na]+ 193.08352 151.5
[M-H]- 169.08702 156.1
[M+NH4]+ 188.12812 150.5
[M+K]+ 209.05746 155.3
[M+H-H2O]+ 153.09156 137.8
[M+HCOO]- 215.09250 160.4
[M+CH3COO]- 229.10815 155.6
[M+Na-2H]- 191.06897 150.5
[M]+ 170.09375 148.5
[M]- 170.09485 148.5
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