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

1
Patents

178.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.2
[M+Na]+ 201.063448 144.0
[M-H]- 177.066954 136.7
[M+NH4]+ 196.108053 156.1
[M+K]+ 217.037388 140.4
[M+H-H2O]+ 161.071490 130.6
[M+HCOO]- 223.072431 155.7
[M+CH3COO]- 237.088081 177.3
[M+Na-2H]- 199.048896 140.1
[M]+ 178.07368142 131.7
[M]- 178.07477858 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

patents stripe