CID 22016565

2-(dimethylamino)-2,3-dihydro-1h-indene-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
CN(C)C1(CC2=CC=CC=C2C1)C(=O)O
InChI
InChI=1S/C12H15NO2/c1-13(2)12(11(14)15)7-9-5-3-4-6-10(9)8-12/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKey
SKCUMFJFAWFXDL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

205.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.2
[M+Na]+ 228.09950 152.3
[M-H]- 204.10300 149.9
[M+NH4]+ 223.14410 168.7
[M+K]+ 244.07344 150.7
[M+H-H2O]+ 188.10754 140.2
[M+HCOO]- 250.10848 167.6
[M+CH3COO]- 264.12413 188.5
[M+Na-2H]- 226.08495 150.0
[M]+ 205.10973 145.1
[M]- 205.11083 145.1
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