CID 16565

2-methyloxetane

Structural Information

Molecular Formula
C4H8O
SMILES
CC1CCO1
InChI
InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3
InChIKey
FZIIBDOXPQOKBP-UHFFFAOYSA-N
Compound name
2-methyloxetane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

8391
Patents

72.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 104.7
[M+Na]+ 95.046738 111.3
[M-H]- 71.050244 109.3
[M+NH4]+ 90.091343 121.5
[M+K]+ 111.02068 116.1
[M+H-H2O]+ 55.054780 95.9
[M+HCOO]- 117.05572 127.0
[M+CH3COO]- 131.07137 165.0
[M+Na-2H]- 93.032186 114.3
[M]+ 72.056971 113.2
[M]- 72.058069 113.2
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