CID 165881948

3-(prop-1-yn-1-yl)oxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C6H9NO
SMILES
CC#CC1(COC1)N
InChI
InChI=1S/C6H9NO/c1-2-3-6(7)4-8-5-6/h4-5,7H2,1H3
InChIKey
LHOPJHRLEJOOLL-UHFFFAOYSA-N
Compound name
3-prop-1-ynyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 116.1
[M+Na]+ 134.057628 124.3
[M-H]- 110.061134 119.0
[M+NH4]+ 129.102233 130.9
[M+K]+ 150.031568 127.2
[M+H-H2O]+ 94.065670 102.0
[M+HCOO]- 156.066611 132.8
[M+CH3COO]- 170.082261 181.1
[M+Na-2H]- 132.043076 123.9
[M]+ 111.06786142 117.4
[M]- 111.06895858 117.4
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

No patent data available for this compound.