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

140
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

literature stripe

Patent stripe

patents stripe