CID 150604266

2-(methoxycarbonyl)-1h-pyrrole-3-carboxylicacid

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC(=O)C1=C(C=CN1)C(=O)O
InChI
InChI=1S/C7H7NO4/c1-12-7(11)5-4(6(9)10)2-3-8-5/h2-3,8H,1H3,(H,9,10)
InChIKey
ISNPXPHPMZIMBP-UHFFFAOYSA-N
Compound name
2-methoxycarbonyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 134.2
[M+Na]+ 192.02672 143.0
[M+NH4]+ 187.07132 139.7
[M+K]+ 208.00066 142.3
[M-H]- 168.03022 131.8
[M+Na-2H]- 190.01217 136.7
[M]+ 169.03695 134.2
[M]- 169.03805 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.