CID 76141

2-methylallylamine

Structural Information

Molecular Formula
C4H9N
SMILES
CC(=C)CN
InChI
InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3
InChIKey
VXDHQYLFEYUMFY-UHFFFAOYSA-N
Compound name
2-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2999
Patents

71.0735 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 112.9
[M+Na]+ 94.062718 123.0
[M+NH4]+ 89.107323 121.6
[M+K]+ 110.03666 117.9
[M-H]- 70.066224 113.3
[M+Na-2H]- 92.048166 117.4
[M]+ 71.072951 114.2
[M]- 71.074049 114.2
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