CID 297621

89059-06-3

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1=CN(C=C1)CCC(=O)O
InChI
InChI=1S/C7H9NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2,(H,9,10)
InChIKey
RZJWSGHNRLPGHP-UHFFFAOYSA-N
Compound name
3-pyrrol-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

332
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 128.5
[M+Na]+ 162.05254 138.8
[M+NH4]+ 157.09714 136.0
[M+K]+ 178.02648 135.7
[M-H]- 138.05604 128.1
[M+Na-2H]- 160.03799 133.3
[M]+ 139.06277 129.5
[M]- 139.06387 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe