CID 119031797

(2s)-1-aminopent-4-yn-2-ol hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C#CC[C@@H](CN)O
InChI
InChI=1S/C5H9NO/c1-2-3-5(7)4-6/h1,5,7H,3-4,6H2/t5-/m0/s1
InChIKey
ZVZGGDQXPNJDCH-YFKPBYRVSA-N
Compound name
(2S)-1-aminopent-4-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 120.5
[M+Na]+ 122.05763 129.5
[M+NH4]+ 117.10223 124.7
[M+K]+ 138.03157 122.3
[M-H]- 98.061134 112.2
[M+Na-2H]- 120.04308 121.2
[M]+ 99.067861 118.3
[M]- 99.068959 118.3
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.