CID 51000043

1007386-48-2

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CN1C=CC2=C1C=C(N2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c1-10-3-2-5-7(10)4-6(9-5)8(11)12/h2-4,9H,1H3,(H,11,12)
InChIKey
MKNMFJGDGQHMER-UHFFFAOYSA-N
Compound name
1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 132.3
[M+Na]+ 187.04780 143.1
[M+NH4]+ 182.09240 139.5
[M+K]+ 203.02174 142.6
[M-H]- 163.05130 131.1
[M+Na-2H]- 185.03325 135.9
[M]+ 164.05803 133.1
[M]- 164.05913 133.1
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