CID 45074057

Methyl 2-amino-2,3-dihydro-1h-indene-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1(CC2=CC=CC=C2C1)N
InChI
InChI=1S/C11H13NO2/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7,12H2,1H3
InChIKey
UVMXRCKHFMQNJZ-UHFFFAOYSA-N
Compound name
methyl 2-amino-1,3-dihydroindene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

191.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.0
[M+Na]+ 214.083858 149.0
[M-H]- 190.087364 145.3
[M+NH4]+ 209.128463 164.9
[M+K]+ 230.057798 146.7
[M+H-H2O]+ 174.091900 136.0
[M+HCOO]- 236.092841 164.2
[M+CH3COO]- 250.108491 183.3
[M+Na-2H]- 212.069306 146.5
[M]+ 191.09409142 140.1
[M]- 191.09518858 140.1
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