CID 13756235

Pent-3-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9N
SMILES
CC#CCCN
InChI
InChI=1S/C5H9N/c1-2-3-4-5-6/h4-6H2,1H3
InChIKey
IFGQNSAUMOFJNS-UHFFFAOYSA-N
Compound name
pent-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

83.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 116.0
[M+Na]+ 106.062718 125.3
[M-H]- 82.066224 115.6
[M+NH4]+ 101.107323 137.2
[M+K]+ 122.036658 124.0
[M+H-H2O]+ 66.070760 105.9
[M+HCOO]- 128.071701 134.9
[M+CH3COO]- 142.087351 175.7
[M+Na-2H]- 104.048166 122.3
[M]+ 83.07295142 109.4
[M]- 83.07404858 109.4
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