CID 9898888

4-(2-hydroxyethyl)-1h-pyrrole-3-carboxylic acid

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

11
Patents

155.05824 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 131.4
[M+Na]+ 178.047458 139.0
[M-H]- 154.050964 129.9
[M+NH4]+ 173.092063 150.7
[M+K]+ 194.021398 136.4
[M+H-H2O]+ 138.055500 126.0
[M+HCOO]- 200.056441 151.3
[M+CH3COO]- 214.072091 167.4
[M+Na-2H]- 176.032906 134.9
[M]+ 155.05769142 129.4
[M]- 155.05878858 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