CID 3077896

136208-82-7

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1CC2=C(C=C(C=C2)C(=O)O)[C@H](C1N3C=CN=C3)O
InChI
InChI=1S/C14H14N2O3/c17-13-11-7-10(14(18)19)2-1-9(11)3-4-12(13)16-6-5-15-8-16/h1-2,5-8,12-13,17H,3-4H2,(H,18,19)/t12?,13-/m1/s1
InChIKey
MTUOBMXOZSBCGV-ZGTCLIOFSA-N
Compound name
(8R)-8-hydroxy-7-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.3
[M+Na]+ 281.08965 164.8
[M-H]- 257.09315 159.8
[M+NH4]+ 276.13425 172.7
[M+K]+ 297.06359 160.4
[M+H-H2O]+ 241.09769 149.6
[M+HCOO]- 303.09863 173.5
[M+CH3COO]- 317.11428 168.1
[M+Na-2H]- 279.07510 159.6
[M]+ 258.09988 154.6
[M]- 258.10098 154.6
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.