CID 54711834

Methyl 3-hydroxy-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
COC(=O)C1=C(C=CN1)O
InChI
InChI=1S/C6H7NO3/c1-10-6(9)5-4(8)2-3-7-5/h2-3,7-8H,1H3
InChIKey
WDPQPKMCONIREA-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

141.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 126.2
[M+Na]+ 164.031808 134.8
[M-H]- 140.035314 126.4
[M+NH4]+ 159.076413 146.9
[M+K]+ 180.005748 133.4
[M+H-H2O]+ 124.039850 120.9
[M+HCOO]- 186.040791 148.0
[M+CH3COO]- 200.056441 166.2
[M+Na-2H]- 162.017256 130.7
[M]+ 141.04204142 125.7
[M]- 141.04313858 125.7
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

patents stripe