CID 17955381

1245568-73-3

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC(=C2C=CN(C2=C1)CC(=O)O)N
InChI
InChI=1S/C10H10N2O2/c11-8-2-1-3-9-7(8)4-5-12(9)6-10(13)14/h1-5H,6,11H2,(H,13,14)
InChIKey
FBUKGBFOOAVIJN-UHFFFAOYSA-N
Compound name
2-(4-aminoindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 137.9
[M+Na]+ 213.063448 147.7
[M-H]- 189.066954 140.4
[M+NH4]+ 208.108053 158.2
[M+K]+ 229.037388 144.3
[M+H-H2O]+ 173.071490 131.8
[M+HCOO]- 235.072431 161.5
[M+CH3COO]- 249.088081 182.2
[M+Na-2H]- 211.048896 143.6
[M]+ 190.07368142 138.5
[M]- 190.07477858 138.5
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