CID 12250845

141381-35-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
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 117.2
[M+Na]+ 106.062718 126.2
[M-H]- 82.066224 116.8
[M+NH4]+ 101.107323 138.2
[M+K]+ 122.036658 125.2
[M+H-H2O]+ 66.070760 107.1
[M+HCOO]- 128.071701 135.2
[M+CH3COO]- 142.087351 177.0
[M+Na-2H]- 104.048166 122.2
[M]+ 83.07295142 110.0
[M]- 83.07404858 110.0
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