CID 9911138

2-methoxypropane-1,3-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 121.9
[M+Na]+ 127.08418 127.9
[M-H]- 103.08768 121.4
[M+NH4]+ 122.12878 143.8
[M+K]+ 143.05812 128.3
[M+H-H2O]+ 87.092220 116.8
[M+HCOO]- 149.09316 146.3
[M+CH3COO]- 163.10881 172.3
[M+Na-2H]- 125.06963 126.9
[M]+ 104.09441 119.4
[M]- 104.09551 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