CID 13813927

111043-48-2

Structural Information

Molecular Formula
C4H9NO
SMILES
CN1CC(C1)O
InChI
InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKey
IJVQAJHYYRVZNE-UHFFFAOYSA-N
Compound name
1-methylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

583
Patents

87.06841 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 114.0
[M+Na]+ 110.05763 120.7
[M+NH4]+ 105.10223 118.6
[M+K]+ 126.03157 117.9
[M-H]- 86.061134 111.8
[M+Na-2H]- 108.04308 116.7
[M]+ 87.067861 112.9
[M]- 87.068959 112.9
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