CID 255668

4-(3-pyrrolyl)butyric acid

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1=CNC=C1CCCC(=O)O
InChI
InChI=1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
InChIKey
ZILGRACWFSKIFU-UHFFFAOYSA-N
Compound name
4-(1H-pyrrol-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

153.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 133.0
[M+Na]+ 176.06820 139.8
[M-H]- 152.07170 132.4
[M+NH4]+ 171.11280 152.9
[M+K]+ 192.04214 137.4
[M+H-H2O]+ 136.07624 127.1
[M+HCOO]- 198.07718 153.9
[M+CH3COO]- 212.09283 169.7
[M+Na-2H]- 174.05365 137.1
[M]+ 153.07843 131.4
[M]- 153.07953 131.4
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