CID 771465

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

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=O
InChI
InChI=1S/C11H9NO3/c13-7-8-5-12(6-11(14)15)10-4-2-1-3-9(8)10/h1-5,7H,6H2,(H,14,15)
InChIKey
ZUUGBTJTGRTIFK-UHFFFAOYSA-N
Compound name
2-(3-formylindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

203.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.2
[M+Na]+ 226.047458 150.7
[M-H]- 202.050964 143.1
[M+NH4]+ 221.092063 160.4
[M+K]+ 242.021398 147.4
[M+H-H2O]+ 186.055500 134.3
[M+HCOO]- 248.056441 163.5
[M+CH3COO]- 262.072091 182.1
[M+Na-2H]- 224.032906 146.0
[M]+ 203.05769142 143.5
[M]- 203.05878858 143.5
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