CID 62343032

2-(but-3-yn-1-yloxy)ethan-1-aminehydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C#CCCOCCN
InChI
InChI=1S/C6H11NO/c1-2-3-5-8-6-4-7/h1H,3-7H2
InChIKey
WUOZVGWFNFOOOX-UHFFFAOYSA-N
Compound name
2-but-3-ynoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.7
[M+Na]+ 136.07328 133.4
[M+NH4]+ 131.11788 128.2
[M+K]+ 152.04722 125.0
[M-H]- 112.07678 116.0
[M+Na-2H]- 134.05873 125.1
[M]+ 113.08351 121.9
[M]- 113.08461 121.9
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