CID 12707110

4-aminobut-2-yn-1-ol hydrochloride

Structural Information

Molecular Formula
C4H7NO
SMILES
C(C#CCO)N
InChI
InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,3-5H2
InChIKey
CETGYTZOZAIXBU-UHFFFAOYSA-N
Compound name
4-aminobut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

85.052765 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 116.4
[M+Na]+ 108.041983 125.6
[M-H]- 84.045489 114.8
[M+NH4]+ 103.086588 136.8
[M+K]+ 124.015923 124.2
[M+H-H2O]+ 68.050025 106.4
[M+HCOO]- 130.050966 134.4
[M+CH3COO]- 144.066616 171.7
[M+Na-2H]- 106.027431 122.4
[M]+ 85.05221642 108.9
[M]- 85.05331358 108.9
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