CID 69391

N-allylmethylamine

Structural Information

Molecular Formula
C4H9N
SMILES
CNCC=C
InChI
InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3
InChIKey
IOXXVNYDGIXMIP-UHFFFAOYSA-N
Compound name
N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

5329
Patents

71.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 112.2
[M+Na]+ 94.062718 123.0
[M+NH4]+ 89.107323 121.2
[M+K]+ 110.03666 116.8
[M-H]- 70.066224 113.0
[M+Na-2H]- 92.048166 117.6
[M]+ 71.072951 113.8
[M]- 71.074049 113.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe