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

112
Patents

205.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.2
[M+Na]+ 228.099498 152.3
[M-H]- 204.103004 149.9
[M+NH4]+ 223.144103 168.7
[M+K]+ 244.073438 150.7
[M+H-H2O]+ 188.107540 140.2
[M+HCOO]- 250.108481 167.6
[M+CH3COO]- 264.124131 188.5
[M+Na-2H]- 226.084946 150.0
[M]+ 205.10973142 145.1
[M]- 205.11082858 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