CID 14975839

1955494-55-9

Structural Information

Molecular Formula
C5H14N2O
SMILES
CN(CCCN)OC
InChI
InChI=1S/C5H14N2O/c1-7(8-2)5-3-4-6/h3-6H2,1-2H3
InChIKey
BCRGFHQZNRQJKA-UHFFFAOYSA-N
Compound name
N'-methoxy-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

118.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.117886 125.6
[M+Na]+ 141.099828 131.7
[M-H]- 117.103334 126.9
[M+NH4]+ 136.144433 148.1
[M+K]+ 157.073768 133.1
[M+H-H2O]+ 101.107870 120.2
[M+HCOO]- 163.108811 151.9
[M+CH3COO]- 177.124461 178.6
[M+Na-2H]- 139.085276 131.8
[M]+ 118.11006142 126.6
[M]- 118.11115858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe