CID 3011564

2-(2-adamantyl)-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1C2CC3CC1CC(C2)C3C4=NC=C(N4)C(=O)O
InChI
InChI=1S/C14H18N2O2/c17-14(18)11-6-15-13(16-11)12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H,15,16)(H,17,18)
InChIKey
LGILDTFZTUOCKI-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.13683 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 153.5
[M+Na]+ 269.126048 155.9
[M-H]- 245.129554 147.2
[M+NH4]+ 264.170653 173.7
[M+K]+ 285.099988 151.7
[M+H-H2O]+ 229.134090 147.0
[M+HCOO]- 291.135031 156.9
[M+CH3COO]- 305.150681 160.9
[M+Na-2H]- 267.111496 159.7
[M]+ 246.13628142 151.9
[M]- 246.13737858 151.9
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.