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

30
Patents

104.09496 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.102236 121.9
[M+Na]+ 127.084178 127.9
[M-H]- 103.087684 121.4
[M+NH4]+ 122.128783 143.8
[M+K]+ 143.058118 128.3
[M+H-H2O]+ 87.092220 116.8
[M+HCOO]- 149.093161 146.3
[M+CH3COO]- 163.108811 172.3
[M+Na-2H]- 125.069626 126.9
[M]+ 104.09441142 119.4
[M]- 104.09550858 119.4
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