CID 12623598

1258538-09-8

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

200
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]+ 106.062718 124.1
[M-H]- 82.066224 114.8
[M+NH4]+ 101.107323 136.2
[M+K]+ 122.036658 123.0
[M+H-H2O]+ 66.070760 104.7
[M+HCOO]- 128.071701 134.3
[M+CH3COO]- 142.087351 176.9
[M+Na-2H]- 104.048166 122.2
[M]+ 83.07295142 109.3
[M]- 83.07404858 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