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

104
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 118.8
[M+Na]+ 122.05763 127.6
[M-H]- 98.061134 117.5
[M+NH4]+ 117.10223 138.8
[M+K]+ 138.03157 126.2
[M+H-H2O]+ 82.065670 108.6
[M+HCOO]- 144.06661 137.1
[M+CH3COO]- 158.08226 176.2
[M+Na-2H]- 120.04308 125.5
[M]+ 99.067861 112.8
[M]- 99.068959 112.8
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