CID 104315

52762-69-3

Structural Information

Molecular Formula
C19H31NO
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCCCCN)C2CCCC2
InChI
InChI=1S/C19H31NO/c1-19(2,3)16-10-11-18(21-13-7-6-12-20)17(14-16)15-8-4-5-9-15/h10-11,14-15H,4-9,12-13,20H2,1-3H3
InChIKey
HQYSGCWZWRSPJJ-UHFFFAOYSA-N
Compound name
4-(4-tert-butyl-2-cyclopentylphenoxy)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.24057 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 174.9
[M+Na]+ 312.22979 178.7
[M-H]- 288.23329 180.1
[M+NH4]+ 307.27439 192.0
[M+K]+ 328.20373 174.8
[M+H-H2O]+ 272.23783 167.9
[M+HCOO]- 334.23877 194.5
[M+CH3COO]- 348.25442 205.9
[M+Na-2H]- 310.21524 174.6
[M]+ 289.24002 173.6
[M]- 289.24112 173.6
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

patents stripe