CID 62477834

4-methoxybutane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C5H14N2O
SMILES
COCCC(CN)N
InChI
InChI=1S/C5H14N2O/c1-8-3-2-5(7)4-6/h5H,2-4,6-7H2,1H3
InChIKey
VGHVEWVHFGVRDM-UHFFFAOYSA-N
Compound name
4-methoxybutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

118.11061 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.11789 126.5
[M+Na]+ 141.09983 132.1
[M-H]- 117.10333 125.7
[M+NH4]+ 136.14443 147.9
[M+K]+ 157.07377 132.2
[M+H-H2O]+ 101.10787 121.2
[M+HCOO]- 163.10881 150.5
[M+CH3COO]- 177.12446 175.3
[M+Na-2H]- 139.08528 130.9
[M]+ 118.11006 124.4
[M]- 118.11116 124.4
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