CID 155858803

2580241-18-3

Structural Information

Molecular Formula
C5H9NO2
SMILES
C#CC(CO)(CO)N
InChI
InChI=1S/C5H9NO2/c1-2-5(6,3-7)4-8/h1,7-8H,3-4,6H2
InChIKey
XLBBFZHCQMXBSP-UHFFFAOYSA-N
Compound name
2-amino-2-ethynylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.06333 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 127.0
[M+Na]+ 138.052548 135.5
[M-H]- 114.056054 124.1
[M+NH4]+ 133.097153 145.5
[M+K]+ 154.026488 134.1
[M+H-H2O]+ 98.060590 117.3
[M+HCOO]- 160.061531 142.1
[M+CH3COO]- 174.077181 175.4
[M+Na-2H]- 136.037996 132.2
[M]+ 115.06278142 119.0
[M]- 115.06387858 119.0
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.