CID 3388265

2-acetyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC(=O)C1=C(C2=CC=CC=C2N1)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-6(13)10-9(11(14)15)7-4-2-3-5-8(7)12-10/h2-5,12H,1H3,(H,14,15)
InChIKey
SIFWJAMUHPEUPM-UHFFFAOYSA-N
Compound name
2-acetyl-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

203.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 141.8
[M+Na]+ 226.04746 153.6
[M+NH4]+ 221.09206 148.7
[M+K]+ 242.02140 150.9
[M-H]- 202.05096 141.4
[M+Na-2H]- 224.03291 146.1
[M]+ 203.05769 143.1
[M]- 203.05879 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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