CID 21982328

1187933-04-5

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CNC2=CC=CC(=C21)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2,(H,11,12)
InChIKey
FCSKCVIVEMHMPD-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

163.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.7
[M+Na]+ 186.05254 140.5
[M-H]- 162.05604 133.3
[M+NH4]+ 181.09714 153.5
[M+K]+ 202.02648 137.2
[M+H-H2O]+ 146.06058 127.2
[M+HCOO]- 208.06152 151.8
[M+CH3COO]- 222.07717 171.7
[M+Na-2H]- 184.03799 137.8
[M]+ 163.06277 129.5
[M]- 163.06387 129.5
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