CID 107501102

[1-(2-aminoethyl)-1h-imidazol-4-yl]methanoldihydrochloride

Structural Information

Molecular Formula
C6H11N3O
SMILES
C1=C(N=CN1CCN)CO
InChI
InChI=1S/C6H11N3O/c7-1-2-9-3-6(4-10)8-5-9/h3,5,10H,1-2,4,7H2
InChIKey
NMGPZPUIAUQPJA-UHFFFAOYSA-N
Compound name
[1-(2-aminoethyl)imidazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 128.5
[M+Na]+ 164.07943 138.3
[M+NH4]+ 159.12403 135.6
[M+K]+ 180.05337 135.4
[M-H]- 140.08293 128.4
[M+Na-2H]- 162.06488 133.1
[M]+ 141.08966 129.4
[M]- 141.09076 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.