CID 67220633

N-((1r,2r)-2-amino-2,3-dihydro-1h-inden-1-yl)acetamide

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(=O)N[C@H]1[C@@H](CC2=CC=CC=C12)N
InChI
InChI=1S/C11H14N2O/c1-7(14)13-11-9-5-3-2-4-8(9)6-10(11)12/h2-5,10-11H,6,12H2,1H3,(H,13,14)/t10-,11-/m1/s1
InChIKey
GEHNSFFHEYUFJG-GHMZBOCLSA-N
Compound name
N-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.11061 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 140.8
[M+Na]+ 213.09983 147.9
[M-H]- 189.10333 145.1
[M+NH4]+ 208.14443 162.7
[M+K]+ 229.07377 145.0
[M+H-H2O]+ 173.10787 135.1
[M+HCOO]- 235.10881 164.8
[M+CH3COO]- 249.12446 187.9
[M+Na-2H]- 211.08528 144.9
[M]+ 190.11006 137.9
[M]- 190.11116 137.9
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