CID 104033

51959-14-9

Structural Information

Molecular Formula
C20H35NO
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCCN)C(C)(C)CC
InChI
InChI=1S/C20H35NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14,21H2,1-6H3
InChIKey
OZYOAOYHMMDTNZ-UHFFFAOYSA-N
Compound name
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

154
Patents

305.27185 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.27913 181.0
[M+Na]+ 328.26107 185.6
[M-H]- 304.26457 183.3
[M+NH4]+ 323.30567 196.3
[M+K]+ 344.23501 182.2
[M+H-H2O]+ 288.26911 174.6
[M+HCOO]- 350.27005 199.3
[M+CH3COO]- 364.28570 214.0
[M+Na-2H]- 326.24652 182.8
[M]+ 305.27130 184.4
[M]- 305.27240 184.4
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.