CID 44712

1,2-dimethyl-1-(2-dimethylaminoethyl)-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C16H25N
SMILES
CC1CCC2=CC=CC=C2C1(C)CCN(C)C
InChI
InChI=1S/C16H25N/c1-13-9-10-14-7-5-6-8-15(14)16(13,2)11-12-17(3)4/h5-8,13H,9-12H2,1-4H3
InChIKey
CSPVTXZECBBRFK-UHFFFAOYSA-N
Compound name
2-(1,2-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 155.9
[M+Na]+ 254.18792 161.8
[M-H]- 230.19142 161.2
[M+NH4]+ 249.23252 177.7
[M+K]+ 270.16186 159.4
[M+H-H2O]+ 214.19596 149.5
[M+HCOO]- 276.19690 176.6
[M+CH3COO]- 290.21255 200.7
[M+Na-2H]- 252.17337 160.8
[M]+ 231.19815 155.7
[M]- 231.19925 155.7
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.