CID 243517

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

Structural Information

Molecular Formula
C5H9N
SMILES
CCNCC#C
InChI
InChI=1S/C5H9N/c1-3-5-6-4-2/h1,6H,4-5H2,2H3
InChIKey
QLWUUDMYTAATJZ-UHFFFAOYSA-N
Compound name
N-ethylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

83.0735 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.9
[M+Na]+ 106.06272 124.1
[M-H]- 82.066224 114.8
[M+NH4]+ 101.10732 136.2
[M+K]+ 122.03666 123.0
[M+H-H2O]+ 66.070760 104.7
[M+HCOO]- 128.07170 134.3
[M+CH3COO]- 142.08735 176.9
[M+Na-2H]- 104.04817 122.2
[M]+ 83.072951 109.3
[M]- 83.074049 109.3
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