CID 10899423

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

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(C1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H11NO2/c1-7(11(13)14)9-6-12-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H,13,14)
InChIKey
WNVIEMRKZPPPOJ-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

154
Patents

189.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.6
[M+Na]+ 212.06820 148.3
[M-H]- 188.07170 140.8
[M+NH4]+ 207.11280 159.5
[M+K]+ 228.04214 144.6
[M+H-H2O]+ 172.07624 133.9
[M+HCOO]- 234.07718 159.9
[M+CH3COO]- 248.09283 178.0
[M+Na-2H]- 210.05365 144.3
[M]+ 189.07843 139.3
[M]- 189.07953 139.3
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