CID 13154044

3-(1h-indol-2-yl)propanoic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1=CC=C2C(=C1)C=C(N2)CCC(=O)O
InChI
InChI=1S/C11H11NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6H2,(H,13,14)
InChIKey
HLSMPONBWJBOKA-UHFFFAOYSA-N
Compound name
3-(1H-indol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

393
Patents

189.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.6
[M+Na]+ 212.06820 151.9
[M+NH4]+ 207.11280 147.5
[M+K]+ 228.04214 147.7
[M-H]- 188.07170 140.1
[M+Na-2H]- 210.05365 145.1
[M]+ 189.07843 141.3
[M]- 189.07953 141.3
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