CID 53409259

3-(prop-2-yn-1-yloxy)azetidine hydrochloride

Structural Information

Molecular Formula
C6H9NO
SMILES
C#CCOC1CNC1
InChI
InChI=1S/C6H9NO/c1-2-3-8-6-4-7-5-6/h1,6-7H,3-5H2
InChIKey
YTHBQEARYRWYJP-UHFFFAOYSA-N
Compound name
3-prop-2-ynoxyazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

111.06841 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 114.1
[M+Na]+ 134.057628 121.5
[M-H]- 110.061134 113.8
[M+NH4]+ 129.102233 126.8
[M+K]+ 150.031568 123.6
[M+H-H2O]+ 94.065670 98.6
[M+HCOO]- 156.066611 128.8
[M+CH3COO]- 170.082261 178.7
[M+Na-2H]- 132.043076 120.4
[M]+ 111.06786142 114.9
[M]- 111.06895858 114.9
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