CID 3011570

3-[2-(2-adamantyl)-1h-imidazol-4-yl]propanoic acid

Structural Information

Molecular Formula
C16H22N2O2
SMILES
C1C2CC3CC1CC(C2)C3C4=NC=C(N4)CCC(=O)O
InChI
InChI=1S/C16H22N2O2/c19-14(20)2-1-13-8-17-16(18-13)15-11-4-9-3-10(6-11)7-12(15)5-9/h8-12,15H,1-7H2,(H,17,18)(H,19,20)
InChIKey
QDMAFYCAHIMVKF-UHFFFAOYSA-N
Compound name
3-[2-(2-adamantyl)-1H-imidazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 162.6
[M+Na]+ 297.15734 164.0
[M-H]- 273.16084 155.8
[M+NH4]+ 292.20194 181.5
[M+K]+ 313.13128 159.4
[M+H-H2O]+ 257.16538 155.7
[M+HCOO]- 319.16632 165.2
[M+CH3COO]- 333.18197 169.0
[M+Na-2H]- 295.14279 167.6
[M]+ 274.16757 161.4
[M]- 274.16867 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.