CID 254166

2-(1-methyl-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
CN1C=C(C2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey
NAIPEFIYIQFVFC-UHFFFAOYSA-N
Compound name
2-(1-methylindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

551
Patents

189.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.4
[M+Na]+ 212.06820 148.7
[M-H]- 188.07170 141.2
[M+NH4]+ 207.11280 159.4
[M+K]+ 228.04214 145.4
[M+H-H2O]+ 172.07624 132.6
[M+HCOO]- 234.07718 161.3
[M+CH3COO]- 248.09283 180.8
[M+Na-2H]- 210.05365 144.1
[M]+ 189.07843 141.0
[M]- 189.07953 141.0
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