CID 12632903

(but-3-yn-2-yl)(methyl)amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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]+ 106.062718 125.3
[M-H]- 82.066224 116.4
[M+NH4]+ 101.107323 137.6
[M+K]+ 122.036658 124.6
[M+H-H2O]+ 66.070760 106.2
[M+HCOO]- 128.071701 134.9
[M+CH3COO]- 142.087351 177.7
[M+Na-2H]- 104.048166 122.3
[M]+ 83.07295142 110.1
[M]- 83.07404858 110.1
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