CID 130001971

2241138-76-9

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1C(NC2=C1C=C(C=C2)N)C(=O)O
InChI
InChI=1S/C9H10N2O2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-3,8,11H,4,10H2,(H,12,13)
InChIKey
BMMNGJPLYLMPAC-UHFFFAOYSA-N
Compound name
5-amino-2,3-dihydro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.2
[M+Na]+ 201.06345 144.0
[M-H]- 177.06695 136.7
[M+NH4]+ 196.10805 156.1
[M+K]+ 217.03739 140.4
[M+H-H2O]+ 161.07149 130.6
[M+HCOO]- 223.07243 155.7
[M+CH3COO]- 237.08808 177.3
[M+Na-2H]- 199.04890 140.1
[M]+ 178.07368 131.7
[M]- 178.07478 131.7
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.