CID 155971023

5-aminopent-2-yn-1-ol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.06841 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 120.3
[M+Na]+ 122.05763 129.2
[M-H]- 98.061134 118.5
[M+NH4]+ 117.10223 140.2
[M+K]+ 138.03157 127.5
[M+H-H2O]+ 82.065670 110.2
[M+HCOO]- 144.06661 138.1
[M+CH3COO]- 158.08226 174.4
[M+Na-2H]- 120.04308 125.9
[M]+ 99.067861 113.2
[M]- 99.068959 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

No patent data available for this compound.