CID 212120

23935-17-3

Structural Information

Molecular Formula
C14H19NO
SMILES
CN(C)CCC(=O)C1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C14H19NO/c1-15(2)9-8-14(16)13-7-6-11-4-3-5-12(11)10-13/h6-7,10H,3-5,8-9H2,1-2H3
InChIKey
ZTPZZGOIWIXOMZ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 151.7
[M+Na]+ 240.135888 157.4
[M-H]- 216.139394 157.0
[M+NH4]+ 235.180493 173.4
[M+K]+ 256.109828 155.5
[M+H-H2O]+ 200.143930 145.3
[M+HCOO]- 262.144871 174.7
[M+CH3COO]- 276.160521 195.6
[M+Na-2H]- 238.121336 154.6
[M]+ 217.14612142 152.4
[M]- 217.14721858 152.4
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.