CID 9898888

404839-11-8

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1=C(C(=CN1)C(=O)O)CCO
InChI
InChI=1S/C7H9NO3/c9-2-1-5-3-8-4-6(5)7(10)11/h3-4,8-9H,1-2H2,(H,10,11)
InChIKey
RQQCRHRTLOUTBV-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.05824 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 131.4
[M+Na]+ 178.04746 139.0
[M-H]- 154.05096 129.9
[M+NH4]+ 173.09206 150.7
[M+K]+ 194.02140 136.4
[M+H-H2O]+ 138.05550 126.0
[M+HCOO]- 200.05644 151.3
[M+CH3COO]- 214.07209 167.4
[M+Na-2H]- 176.03291 134.9
[M]+ 155.05769 129.4
[M]- 155.05879 129.4
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