CID 12623598

(but-3-yn-1-yl)(methyl)amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

83.0735 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe