CID 44712

101449-01-8

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]+ 232.205976 155.9
[M+Na]+ 254.187918 161.8
[M-H]- 230.191424 161.2
[M+NH4]+ 249.232523 177.7
[M+K]+ 270.161858 159.4
[M+H-H2O]+ 214.195960 149.5
[M+HCOO]- 276.196901 176.6
[M+CH3COO]- 290.212551 200.7
[M+Na-2H]- 252.173366 160.8
[M]+ 231.19815142 155.7
[M]- 231.19924858 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.