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

11
Patents

111.06841 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 114.1
[M+Na]+ 134.05763 121.5
[M-H]- 110.06113 113.8
[M+NH4]+ 129.10223 126.8
[M+K]+ 150.03157 123.6
[M+H-H2O]+ 94.065670 98.6
[M+HCOO]- 156.06661 128.8
[M+CH3COO]- 170.08226 178.7
[M+Na-2H]- 132.04308 120.4
[M]+ 111.06786 114.9
[M]- 111.06896 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