CID 154185051

[4-(4-aminobutyl)-1h-imidazol-5-yl]methanol dihydrochloride

Structural Information

Molecular Formula
C8H15N3O
SMILES
C1=NC(=C(N1)CO)CCCCN
InChI
InChI=1S/C8H15N3O/c9-4-2-1-3-7-8(5-12)11-6-10-7/h6,12H,1-5,9H2,(H,10,11)
InChIKey
FADXNKNUTLLOJL-UHFFFAOYSA-N
Compound name
[4-(4-aminobutyl)-1H-imidazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.1215 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 137.9
[M+Na]+ 192.11072 144.8
[M-H]- 168.11422 135.5
[M+NH4]+ 187.15532 155.7
[M+K]+ 208.08466 141.5
[M+H-H2O]+ 152.11876 130.8
[M+HCOO]- 214.11970 158.5
[M+CH3COO]- 228.13535 176.0
[M+Na-2H]- 190.09617 141.9
[M]+ 169.12095 135.4
[M]- 169.12205 135.4
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

No patent data available for this compound.