CID 2764423

Methyl 2-hydroxy-4-(1h-pyrrol-1-yl)benzoate

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC(=O)C1=C(C=C(C=C1)N2C=CC=C2)O
InChI
InChI=1S/C12H11NO3/c1-16-12(15)10-5-4-9(8-11(10)14)13-6-2-3-7-13/h2-8,14H,1H3
InChIKey
FOBLNLGBEWRJLG-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-pyrrol-1-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

217.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.5
[M+Na]+ 240.06312 154.2
[M-H]- 216.06662 150.4
[M+NH4]+ 235.10772 163.9
[M+K]+ 256.03706 151.6
[M+H-H2O]+ 200.07116 138.6
[M+HCOO]- 262.07210 168.5
[M+CH3COO]- 276.08775 183.7
[M+Na-2H]- 238.04857 149.1
[M]+ 217.07335 147.0
[M]- 217.07445 147.0
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.