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]+ 247.14411 153.5
[M+Na]+ 269.12605 155.9
[M-H]- 245.12955 147.2
[M+NH4]+ 264.17065 173.7
[M+K]+ 285.09999 151.7
[M+H-H2O]+ 229.13409 147.0
[M+HCOO]- 291.13503 156.9
[M+CH3COO]- 305.15068 160.9
[M+Na-2H]- 267.11150 159.7
[M]+ 246.13628 151.9
[M]- 246.13738 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.