CID 10856582

2-[2-(dimethylamino)ethyl]-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CN(C)CCC1CC2=CC=CC=C2C1=O
InChI
InChI=1S/C13H17NO/c1-14(2)8-7-11-9-10-5-3-4-6-12(10)13(11)15/h3-6,11H,7-9H2,1-2H3
InChIKey
XJKFCKOAHVBKLL-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.9
[M+Na]+ 226.12023 153.3
[M-H]- 202.12373 151.7
[M+NH4]+ 221.16483 168.5
[M+K]+ 242.09417 151.2
[M+H-H2O]+ 186.12827 139.9
[M+HCOO]- 248.12921 170.3
[M+CH3COO]- 262.14486 192.8
[M+Na-2H]- 224.10568 149.9
[M]+ 203.13046 147.3
[M]- 203.13156 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe