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]+ 218.15395 151.1
[M+Na]+ 240.13589 161.6
[M+NH4]+ 235.18049 160.3
[M+K]+ 256.10983 156.6
[M-H]- 216.13939 154.0
[M+Na-2H]- 238.12134 156.1
[M]+ 217.14612 153.3
[M]- 217.14722 153.3
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.