CID 28563239

28123-89-9

Structural Information

Molecular Formula
C5H9NO
SMILES
C#CCNCCO
InChI
InChI=1S/C5H9NO/c1-2-3-6-4-5-7/h1,6-7H,3-5H2
InChIKey
VNZRQMZOCPCQFL-UHFFFAOYSA-N
Compound name
2-(prop-2-ynylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

99.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 120.1
[M+Na]+ 122.05763 129.7
[M+NH4]+ 117.10223 124.5
[M+K]+ 138.03157 121.5
[M-H]- 98.061134 112.1
[M+Na-2H]- 120.04308 121.6
[M]+ 99.067861 118.1
[M]- 99.068959 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe