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]+ 119.11789 125.6
[M+Na]+ 141.09983 131.7
[M-H]- 117.10333 126.9
[M+NH4]+ 136.14443 148.1
[M+K]+ 157.07377 133.1
[M+H-H2O]+ 101.10787 120.2
[M+HCOO]- 163.10881 151.9
[M+CH3COO]- 177.12446 178.6
[M+Na-2H]- 139.08528 131.8
[M]+ 118.11006 126.6
[M]- 118.11116 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