CID 53350286

Methyl 4-amino-2,3-dihydro-1h-indene-2-carboxylate

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1CC2=C(C1)C(=CC=C2)N
InChI
InChI=1S/C11H13NO2/c1-14-11(13)8-5-7-3-2-4-10(12)9(7)6-8/h2-4,8H,5-6,12H2,1H3
InChIKey
KLPPEZBHYAAHBS-UHFFFAOYSA-N
Compound name
methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

191.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.6
[M+Na]+ 214.08386 148.5
[M-H]- 190.08736 145.0
[M+NH4]+ 209.12846 162.8
[M+K]+ 230.05780 146.2
[M+H-H2O]+ 174.09190 135.2
[M+HCOO]- 236.09284 163.8
[M+CH3COO]- 250.10849 184.9
[M+Na-2H]- 212.06931 144.3
[M]+ 191.09409 139.9
[M]- 191.09519 139.9
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

patents stripe