CID 15004706

3-methoxypropane-1,2-diamine

Structural Information

Molecular Formula
C4H12N2O
SMILES
COCC(CN)N
InChI
InChI=1S/C4H12N2O/c1-7-3-4(6)2-5/h4H,2-3,5-6H2,1H3
InChIKey
LNPOMYDQIBCEEO-UHFFFAOYSA-N
Compound name
3-methoxypropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

104.09496 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.10224 120.4
[M+Na]+ 127.08418 128.3
[M+NH4]+ 122.12878 128.0
[M+K]+ 143.05812 124.5
[M-H]- 103.08768 120.5
[M+Na-2H]- 125.06963 123.6
[M]+ 104.09441 121.1
[M]- 104.09551 121.1
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