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

149
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 119.7
[M+Na]+ 124.073278 124.9
[M-H]- 100.076784 119.0
[M+NH4]+ 119.117883 133.7
[M+K]+ 140.047218 126.5
[M+H-H2O]+ 84.081320 109.5
[M+HCOO]- 146.082261 138.2
[M+CH3COO]- 160.097911 165.3
[M+Na-2H]- 122.058726 126.0
[M]+ 101.08351142 124.6
[M]- 101.08460858 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