CID 11542782

3-methylazetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C4H9NO
SMILES
CC1(CNC1)O
InChI
InChI=1S/C4H9NO/c1-4(6)2-5-3-4/h5-6H,2-3H2,1H3
InChIKey
LDLAEUFQUOXALI-UHFFFAOYSA-N
Compound name
3-methylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1853
Patents

87.06841 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 116.8
[M+Na]+ 110.05763 123.3
[M-H]- 86.061134 116.8
[M+NH4]+ 105.10223 133.4
[M+K]+ 126.03157 125.1
[M+H-H2O]+ 70.065670 108.2
[M+HCOO]- 132.06661 135.6
[M+CH3COO]- 146.08226 162.0
[M+Na-2H]- 108.04308 124.6
[M]+ 87.067861 121.7
[M]- 87.068959 121.7
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