CID 23812

2-dimethylaminomethyltetralone

Structural Information

Molecular Formula
C13H17NO
SMILES
CN(C)CC1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C13H17NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15/h3-6,11H,7-9H2,1-2H3
InChIKey
OMCOACHXKJOZMD-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
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 144.4
[M+Na]+ 226.12023 150.8
[M-H]- 202.12373 149.9
[M+NH4]+ 221.16483 165.1
[M+K]+ 242.09417 148.9
[M+H-H2O]+ 186.12827 137.9
[M+HCOO]- 248.12921 166.6
[M+CH3COO]- 262.14486 193.2
[M+Na-2H]- 224.10568 149.9
[M]+ 203.13046 143.6
[M]- 203.13156 143.6
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