CID 2560686

1-(2-aminoethoxy)-4-tert-butylbenzene hydrochloride

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(C)(C)C1=CC=C(C=C1)OCCN
InChI
InChI=1S/C12H19NO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,8-9,13H2,1-3H3
InChIKey
PMADTOCMHRNTRG-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

193.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 145.4
[M+Na]+ 216.13589 156.9
[M+NH4]+ 211.18049 153.7
[M+K]+ 232.10983 150.6
[M-H]- 192.13939 147.7
[M+Na-2H]- 214.12134 151.9
[M]+ 193.14612 147.7
[M]- 193.14722 147.7
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