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

1190
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]+ 110.057628 120.4
[M-H]- 86.061134 114.6
[M+NH4]+ 105.102233 129.0
[M+K]+ 126.031568 123.1
[M+H-H2O]+ 70.065670 103.7
[M+HCOO]- 132.066611 133.7
[M+CH3COO]- 146.082261 166.1
[M+Na-2H]- 108.043076 120.2
[M]+ 87.06786142 120.2
[M]- 87.06895858 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