CID 13401996

3-methoxyazetidine

Structural Information

Molecular Formula
C4H9NO
SMILES
COC1CNC1
InChI
InChI=1S/C4H9NO/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKey
AVPAYFOQPGPSCC-UHFFFAOYSA-N
Compound name
3-methoxyazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4198
Patents

87.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 113.3
[M+Na]+ 110.05763 119.4
[M-H]- 86.061134 114.2
[M+NH4]+ 105.10223 128.6
[M+K]+ 126.03157 122.1
[M+H-H2O]+ 70.065670 103.2
[M+HCOO]- 132.06661 133.6
[M+CH3COO]- 146.08226 165.0
[M+Na-2H]- 108.04308 120.8
[M]+ 87.067861 119.7
[M]- 87.068959 119.7
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