CID 7141883

2-methyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=CC2=C(O1)C=C(N2)C(=O)O
InChI
InChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11)
InChIKey
ILLLWINWDFYWES-UHFFFAOYSA-N
Compound name
2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

165.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 130.3
[M+Na]+ 188.03181 141.2
[M-H]- 164.03531 132.9
[M+NH4]+ 183.07641 151.9
[M+K]+ 204.00575 139.6
[M+H-H2O]+ 148.03985 125.9
[M+HCOO]- 210.04079 152.6
[M+CH3COO]- 224.05644 171.8
[M+Na-2H]- 186.01726 135.5
[M]+ 165.04204 132.8
[M]- 165.04314 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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