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]+ 156.06552 130.6
[M+Na]+ 178.04746 138.7
[M-H]- 154.05096 130.5
[M+NH4]+ 173.09206 150.7
[M+K]+ 194.02140 137.0
[M+H-H2O]+ 138.05550 125.0
[M+HCOO]- 200.05644 152.1
[M+CH3COO]- 214.07209 169.9
[M+Na-2H]- 176.03291 134.6
[M]+ 155.05769 130.5
[M]- 155.05879 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