CID 3077879

Brn 4753696

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1CC2=C(CC1N3C=CN=C3)C=CC=C2C(=O)O
InChI
InChI=1S/C14H14N2O2/c17-14(18)13-3-1-2-10-8-11(4-5-12(10)13)16-7-6-15-9-16/h1-3,6-7,9,11H,4-5,8H2,(H,17,18)
InChIKey
PLAKELSDTAFTPJ-UHFFFAOYSA-N
Compound name
6-imidazol-1-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.0
[M+Na]+ 265.09475 161.2
[M-H]- 241.09825 157.5
[M+NH4]+ 260.13935 170.6
[M+K]+ 281.06869 156.9
[M+H-H2O]+ 225.10279 145.8
[M+HCOO]- 287.10373 171.6
[M+CH3COO]- 301.11938 165.3
[M+Na-2H]- 263.08020 157.4
[M]+ 242.10498 151.3
[M]- 242.10608 151.3
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.