CID 110871

6514-52-9

Structural Information

Molecular Formula
C13H18N2O
SMILES
CN(C)CC(=O)NC1CCC2=CC=CC=C12
InChI
InChI=1S/C13H18N2O/c1-15(2)9-13(16)14-12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3,(H,14,16)
InChIKey
AFKJKDXBPYJNIK-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.5
[M+Na]+ 241.131118 155.7
[M-H]- 217.134624 155.9
[M+NH4]+ 236.175723 171.7
[M+K]+ 257.105058 154.1
[M+H-H2O]+ 201.139160 143.8
[M+HCOO]- 263.140101 174.8
[M+CH3COO]- 277.155751 196.8
[M+Na-2H]- 239.116566 154.3
[M]+ 218.14135142 150.0
[M]- 218.14244858 150.0
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.