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

80
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 125.3
[M-H]- 82.066224 116.4
[M+NH4]+ 101.10732 137.6
[M+K]+ 122.03666 124.6
[M+H-H2O]+ 66.070760 106.2
[M+HCOO]- 128.07170 134.9
[M+CH3COO]- 142.08735 177.7
[M+Na-2H]- 104.04817 122.3
[M]+ 83.072951 110.1
[M]- 83.074049 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