CID 65589606

1-(oxan-4-yl)prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CC(C1CCOCC1)N
InChI
InChI=1S/C8H13NO/c1-2-8(9)7-3-5-10-6-4-7/h1,7-8H,3-6,9H2
InChIKey
RGYYXRCIKYGFIB-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.9
[M+Na]+ 162.08894 136.8
[M-H]- 138.09244 131.5
[M+NH4]+ 157.13354 147.2
[M+K]+ 178.06288 135.0
[M+H-H2O]+ 122.09698 118.3
[M+HCOO]- 184.09792 144.0
[M+CH3COO]- 198.11357 183.5
[M+Na-2H]- 160.07439 134.1
[M]+ 139.09917 119.5
[M]- 139.10027 119.5
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.