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

4189
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 113.2
[M+Na]+ 94.062718 120.4
[M-H]- 70.066224 113.4
[M+NH4]+ 89.107323 137.1
[M+K]+ 110.03666 120.3
[M+H-H2O]+ 54.070760 109.1
[M+HCOO]- 116.07170 137.2
[M+CH3COO]- 130.08735 165.0
[M+Na-2H]- 92.048166 119.3
[M]+ 71.072951 110.5
[M]- 71.074049 110.5
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