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

166374
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

literature stripe

Patent stripe

patents stripe