CID 21391884

124618-81-1

Structural Information

Molecular Formula
C6H11N
SMILES
CCC#CCCN
InChI
InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2,5-7H2,1H3
InChIKey
BOSJIPJDUDDZAA-UHFFFAOYSA-N
Compound name
hex-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 131.4
[M+NH4]+ 115.12297 126.3
[M+K]+ 136.05231 122.5
[M-H]- 96.081874 114.1
[M+Na-2H]- 118.06382 123.1
[M]+ 97.088601 119.7
[M]- 97.089699 119.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe