CID 12315

N-methylpropylamine

Structural Information

Molecular Formula
C4H11N
SMILES
CCCNC
InChI
InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3
InChIKey
GVWISOJSERXQBM-UHFFFAOYSA-N
Compound name
N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

36147
Patents

73.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.096426 113.5
[M+Na]+ 96.078368 120.7
[M-H]- 72.081874 114.2
[M+NH4]+ 91.122973 137.8
[M+K]+ 112.05231 121.1
[M+H-H2O]+ 56.086410 109.3
[M+HCOO]- 118.08735 139.0
[M+CH3COO]- 132.10300 166.0
[M+Na-2H]- 94.063816 122.0
[M]+ 73.088601 113.2
[M]- 73.089699 113.2
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