CID 21192690

Hex-5-yn-3-aminehydrochloride

Structural Information

Molecular Formula
C6H11N
SMILES
CCC(CC#C)N
InChI
InChI=1S/C6H11N/c1-3-5-6(7)4-2/h1,6H,4-5,7H2,2H3
InChIKey
QRSKOUFDYNFCNV-UHFFFAOYSA-N
Compound name
hex-5-yn-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

97.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 121.3
[M+Na]+ 120.07837 131.0
[M+NH4]+ 115.12297 126.2
[M+K]+ 136.05231 122.9
[M-H]- 96.081874 113.9
[M+Na-2H]- 118.06382 122.8
[M]+ 97.088601 119.6
[M]- 97.089699 119.6
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