CID 138743

6407-34-7

Structural Information

Molecular Formula
C4H9N
SMILES
CC(=NC)C
InChI
InChI=1S/C4H9N/c1-4(2)5-3/h1-3H3
InChIKey
GPASKFIFXOCRNP-UHFFFAOYSA-N
Compound name
N-methylpropan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1674
Patents

71.0735 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 111.8
[M+Na]+ 94.062718 119.5
[M-H]- 70.066224 114.0
[M+NH4]+ 89.107323 136.8
[M+K]+ 110.036658 120.8
[M+H-H2O]+ 54.070760 107.6
[M+HCOO]- 116.071701 138.0
[M+CH3COO]- 130.087351 167.9
[M+Na-2H]- 92.048166 119.6
[M]+ 71.07295142 112.0
[M]- 71.07404858 112.0
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