CID 713878

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

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=CN(C2=CC=CC=C12)CCC(=O)O
InChI
InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKey
YJMBLVFDTDJZFE-UHFFFAOYSA-N
Compound name
3-(3-methylindol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

203.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.4
[M+Na]+ 226.08386 156.4
[M+NH4]+ 221.12846 151.5
[M+K]+ 242.05780 151.9
[M-H]- 202.08736 144.5
[M+Na-2H]- 224.06931 149.0
[M]+ 203.09409 145.5
[M]- 203.09519 145.5
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