CID 55285004

5-aminopent-3-yn-1-ol

Structural Information

Molecular Formula
C5H9NO
SMILES
C(CO)C#CCN
InChI
InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h7H,3-6H2
InChIKey
XJAHFKYPLPLAOF-UHFFFAOYSA-N
Compound name
5-aminopent-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

99.06841 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 120.3
[M+Na]+ 122.057628 129.2
[M-H]- 98.061134 118.5
[M+NH4]+ 117.102233 140.2
[M+K]+ 138.031568 127.5
[M+H-H2O]+ 82.065670 110.2
[M+HCOO]- 144.066611 138.1
[M+CH3COO]- 158.082261 174.4
[M+Na-2H]- 120.043076 125.9
[M]+ 99.06786142 113.2
[M]- 99.06895858 113.2
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