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]+ 192.10192 140.5
[M+Na]+ 214.08386 148.0
[M-H]- 190.08736 143.9
[M+NH4]+ 209.12846 163.9
[M+K]+ 230.05780 145.2
[M+H-H2O]+ 174.09190 135.8
[M+HCOO]- 236.09284 162.8
[M+CH3COO]- 250.10849 182.1
[M+Na-2H]- 212.06931 146.7
[M]+ 191.09409 138.9
[M]- 191.09519 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.