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

1232
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 113.4
[M+Na]+ 110.05763 120.4
[M-H]- 86.061134 114.6
[M+NH4]+ 105.10223 129.0
[M+K]+ 126.03157 123.1
[M+H-H2O]+ 70.065670 103.7
[M+HCOO]- 132.06661 133.7
[M+CH3COO]- 146.08226 166.1
[M+Na-2H]- 108.04308 120.2
[M]+ 87.067861 120.2
[M]- 87.068959 120.2
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