CID 167808420

Ethyl 7-formylpyrrolo[1,2-c]pyrimidine-3-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CCOC(=O)C1=CC2=CC=C(N2C=N1)C=O

InChI

InChI=1S/C11H10N2O3/c1-2-16-11(15)10-5-8-3-4-9(6-14)13(8)7-12-10/h3-7H,2H2,1H3

InChIKey

XMUIPTPHCMWLGR-UHFFFAOYSA-N

Compound name

ethyl 7-formylpyrrolo[1,2-c]pyrimidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.06914 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.076416	144.4
[M+Na]+	241.058358	155.4
[M-H]-	217.061864	147.2
[M+NH4]+	236.102963	163.4
[M+K]+	257.032298	152.8
[M+H-H2O]+	201.066400	137.2
[M+HCOO]-	263.067341	167.8
[M+CH3COO]-	277.082991	186.7
[M+Na-2H]-	239.043806	150.6
[M]+	218.06859142	150.0
[M]-	218.06968858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.