CID 438674

Nsc658195

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C(=O)O)N
InChI
InChI=1S/C10H10N2O2/c11-9(10(13)14)7-5-12-8-4-2-1-3-6(7)8/h1-5,9,12H,11H2,(H,13,14)
InChIKey
AIZGBPJAKQNCSD-UHFFFAOYSA-N
Compound name
2-amino-2-(1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

190.07423 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.8
[M+Na]+ 213.06345 146.9
[M-H]- 189.06695 139.5
[M+NH4]+ 208.10805 157.9
[M+K]+ 229.03739 143.2
[M+H-H2O]+ 173.07149 132.8
[M+HCOO]- 235.07243 159.8
[M+CH3COO]- 249.08808 179.5
[M+Na-2H]- 211.04890 143.5
[M]+ 190.07368 136.4
[M]- 190.07478 136.4
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

No patent data available for this compound.