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

literature stripe

Patent stripe

patents stripe