CID 69391

N-methylallylamine

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
4
Annotation Hits

4
References

9481
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 112.0
[M+Na]+ 94.062718 119.5
[M-H]- 70.066224 112.7
[M+NH4]+ 89.107323 136.3
[M+K]+ 110.036658 119.3
[M+H-H2O]+ 54.070760 107.9
[M+HCOO]- 116.071701 137.7
[M+CH3COO]- 130.087351 165.0
[M+Na-2H]- 92.048166 120.5
[M]+ 71.07295142 111.0
[M]- 71.07404858 111.0
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