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]+ 170.128776 137.9
[M+Na]+ 192.110718 144.8
[M-H]- 168.114224 135.5
[M+NH4]+ 187.155323 155.7
[M+K]+ 208.084658 141.5
[M+H-H2O]+ 152.118760 130.8
[M+HCOO]- 214.119701 158.5
[M+CH3COO]- 228.135351 176.0
[M+Na-2H]- 190.096166 141.9
[M]+ 169.12095142 135.4
[M]- 169.12204858 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

patents stripe