CID 3085515

Ethanamine, n,n-dimethyl-2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-

Structural Information

Molecular Formula
C21H37NO2
SMILES
CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCCN(C)C
InChI
InChI=1S/C21H37NO2/c1-17-15-18(21(5,6)16-20(2,3)4)9-10-19(17)24-14-13-23-12-11-22(7)8/h9-10,15H,11-14,16H2,1-8H3
InChIKey
RJVBKWPFEURYNE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.28244 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.289716 187.7
[M+Na]+ 358.271658 192.1
[M-H]- 334.275164 191.9
[M+NH4]+ 353.316263 202.7
[M+K]+ 374.245598 190.8
[M+H-H2O]+ 318.279700 180.7
[M+HCOO]- 380.280641 207.1
[M+CH3COO]- 394.296291 222.3
[M+Na-2H]- 356.257106 189.6
[M]+ 335.28189142 195.2
[M]- 335.28298858 195.2
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.