CID 10423

Oxetane

Structural Information

Molecular Formula
C3H6O
SMILES
C1COC1
InChI
InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
InChIKey
AHHWIHXENZJRFG-UHFFFAOYSA-N
Compound name
oxetane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

285
References

157587
Patents

58.041866 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.049142 99.9
[M+Na]+ 81.031084 106.0
[M-H]- 57.034590 104.3
[M+NH4]+ 76.075689 117.0
[M+K]+ 97.005024 111.1
[M+H-H2O]+ 41.039126 91.1
[M+HCOO]- 103.04007 122.6
[M+CH3COO]- 117.05572 161.0
[M+Na-2H]- 79.016532 110.9
[M]+ 58.041317 107.7
[M]- 58.042415 107.7
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

No patent data available for this compound.