CID 104995809

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

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CC(C1CCCCO1)N
InChI
InChI=1S/C8H13NO/c1-2-7(9)8-5-3-4-6-10-8/h1,7-8H,3-6,9H2
InChIKey
JCBSSBZAQMJQCB-UHFFFAOYSA-N
Compound name
1-(oxan-2-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

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.9
[M+Na]+ 162.088938 136.8
[M-H]- 138.092444 131.5
[M+NH4]+ 157.133543 147.2
[M+K]+ 178.062878 135.0
[M+H-H2O]+ 122.096980 118.3
[M+HCOO]- 184.097921 144.0
[M+CH3COO]- 198.113571 183.5
[M+Na-2H]- 160.074386 134.1
[M]+ 139.09917142 119.5
[M]- 139.10026858 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.