CID 20431876

2,3-dihydro-1h-indole-6-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CNC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2,(H,11,12)
InChIKey
ASVKTLFPLKXCBR-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

163.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 132.7
[M+Na]+ 186.052538 140.5
[M-H]- 162.056044 133.3
[M+NH4]+ 181.097143 153.5
[M+K]+ 202.026478 137.2
[M+H-H2O]+ 146.060580 127.2
[M+HCOO]- 208.061521 151.8
[M+CH3COO]- 222.077171 171.7
[M+Na-2H]- 184.037986 137.8
[M]+ 163.06277142 129.5
[M]- 163.06386858 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