CID 84038645

1554659-27-6

Structural Information

Molecular Formula
C7H9NO3
SMILES
COCC1=CC=C(N1)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-11-4-5-2-3-6(8-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10)
InChIKey
PSLIOHOECOPPSR-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 130.6
[M+Na]+ 178.047458 138.7
[M-H]- 154.050964 130.5
[M+NH4]+ 173.092063 150.7
[M+K]+ 194.021398 137.0
[M+H-H2O]+ 138.055500 125.0
[M+HCOO]- 200.056441 152.1
[M+CH3COO]- 214.072091 169.9
[M+Na-2H]- 176.032906 134.6
[M]+ 155.05769142 130.5
[M]- 155.05878858 130.5
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