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 127.4
[M+Na]+ 164.03181 137.2
[M+NH4]+ 159.07641 134.0
[M+K]+ 180.00575 135.4
[M-H]- 140.03531 126.0
[M+Na-2H]- 162.01726 131.1
[M]+ 141.04204 127.9
[M]- 141.04314 127.9
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