CID 19888391

2-(azetidin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H11NO
SMILES
C1C(CN1)CCO
InChI
InChI=1S/C5H11NO/c7-2-1-5-3-6-4-5/h5-7H,1-4H2
InChIKey
KJMWIZGSBHAUKJ-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.7
[M+Na]+ 124.07328 124.9
[M-H]- 100.07678 119.0
[M+NH4]+ 119.11788 133.7
[M+K]+ 140.04722 126.5
[M+H-H2O]+ 84.081320 109.5
[M+HCOO]- 146.08226 138.2
[M+CH3COO]- 160.09791 165.3
[M+Na-2H]- 122.05873 126.0
[M]+ 101.08351 124.6
[M]- 101.08461 124.6
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