CID 23199904

2-aminobut-3-yn-1-ol hydrochloride

Structural Information

Molecular Formula
C4H7NO
SMILES
C#CC(CO)N
InChI
InChI=1S/C4H7NO/c1-2-4(5)3-6/h1,4,6H,3,5H2
InChIKey
RSUWHQXXMTYZTI-UHFFFAOYSA-N
Compound name
2-aminobut-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

85.052765 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 117.3
[M+Na]+ 108.04198 126.1
[M-H]- 84.045489 115.6
[M+NH4]+ 103.08659 137.4
[M+K]+ 124.01592 125.1
[M+H-H2O]+ 68.050025 107.2
[M+HCOO]- 130.05097 134.4
[M+CH3COO]- 144.06662 173.7
[M+Na-2H]- 106.02743 122.1
[M]+ 85.052216 109.3
[M]- 85.053314 109.3
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

patents stripe