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

56
Patents

141.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 126.2
[M+Na]+ 164.03181 134.8
[M-H]- 140.03531 126.4
[M+NH4]+ 159.07641 146.9
[M+K]+ 180.00575 133.4
[M+H-H2O]+ 124.03985 120.9
[M+HCOO]- 186.04079 148.0
[M+CH3COO]- 200.05644 166.2
[M+Na-2H]- 162.01726 130.7
[M]+ 141.04204 125.7
[M]- 141.04314 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