CID 43753634

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

Structural Information

Molecular Formula
C11H13NO2
SMILES
CNC1(CCC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H13NO2/c1-12-11(10(13)14)7-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKey
YZKMLPSEFBTHNG-UHFFFAOYSA-N
Compound name
1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.5
[M+Na]+ 214.083858 148.0
[M-H]- 190.087364 143.9
[M+NH4]+ 209.128463 163.9
[M+K]+ 230.057798 145.2
[M+H-H2O]+ 174.091900 135.8
[M+HCOO]- 236.092841 162.8
[M+CH3COO]- 250.108491 182.1
[M+Na-2H]- 212.069306 146.7
[M]+ 191.09409142 138.9
[M]- 191.09518858 138.9
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

No patent data available for this compound.