CID 91971116

155172-72-8

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C(C1CC2=CC=CC=C2C1)N
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11(13)10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7,13H2,1H3
InChIKey
YZFJYRDDABEYAI-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.3
[M+Na]+ 228.09950 152.4
[M-H]- 204.10300 150.1
[M+NH4]+ 223.14410 167.5
[M+K]+ 244.07344 150.4
[M+H-H2O]+ 188.10754 140.5
[M+HCOO]- 250.10848 168.1
[M+CH3COO]- 264.12413 187.7
[M+Na-2H]- 226.08495 148.8
[M]+ 205.10973 144.8
[M]- 205.11083 144.8
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.