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]+ 112.07569 116.1
[M+Na]+ 134.05763 124.3
[M-H]- 110.06113 119.0
[M+NH4]+ 129.10223 130.9
[M+K]+ 150.03157 127.2
[M+H-H2O]+ 94.065670 102.0
[M+HCOO]- 156.06661 132.8
[M+CH3COO]- 170.08226 181.1
[M+Na-2H]- 132.04308 123.9
[M]+ 111.06786 117.4
[M]- 111.06896 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.