CID 10921653

136834-79-2

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCOC(=O)C1(CC2=CC=CC=C2C1)N
InChI
InChI=1S/C12H15NO2/c1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8,13H2,1H3
InChIKey
QDBFVFBOZSMMSV-UHFFFAOYSA-N
Compound name
ethyl 2-amino-1,3-dihydroindene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

205.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.6
[M+Na]+ 228.099498 153.2
[M-H]- 204.103004 149.8
[M+NH4]+ 223.144103 169.0
[M+K]+ 244.073438 150.7
[M+H-H2O]+ 188.107540 140.4
[M+HCOO]- 250.108481 168.5
[M+CH3COO]- 264.124131 186.3
[M+Na-2H]- 226.084946 150.6
[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

literature stripe

Patent stripe

patents stripe