CID 14636516

129410-14-6

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C(=C1)C(=C(N2)CC(=O)O)C=O
InChI
InChI=1S/C11H9NO3/c13-6-8-7-3-1-2-4-9(7)12-10(8)5-11(14)15/h1-4,6,12H,5H2,(H,14,15)
InChIKey
DONJRFWEOQICHX-UHFFFAOYSA-N
Compound name
2-(3-formyl-1H-indol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

203.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.8
[M+Na]+ 226.047458 150.8
[M-H]- 202.050964 142.3
[M+NH4]+ 221.092063 160.3
[M+K]+ 242.021398 146.6
[M+H-H2O]+ 186.055500 135.1
[M+HCOO]- 248.056441 162.5
[M+CH3COO]- 262.072091 179.6
[M+Na-2H]- 224.032906 146.1
[M]+ 203.05769142 142.3
[M]- 203.05878858 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe