CID 11205717

Pent-2-yn-1-amine

Structural Information

Molecular Formula
C5H9N
SMILES
CCC#CCN
InChI
InChI=1S/C5H9N/c1-2-3-4-5-6/h2,5-6H2,1H3
InChIKey
CQOYFACEVXRLJG-UHFFFAOYSA-N
Compound name
pent-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 116.4
[M+Na]+ 106.06272 125.7
[M-H]- 82.066224 116.0
[M+NH4]+ 101.10732 137.6
[M+K]+ 122.03666 124.4
[M+H-H2O]+ 66.070760 106.3
[M+HCOO]- 128.07170 135.3
[M+CH3COO]- 142.08735 175.1
[M+Na-2H]- 104.04817 122.6
[M]+ 83.072951 109.7
[M]- 83.074049 109.7
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