CID 53276098

2-(2-methoxyphenyl)-2-(propan-2-yloxy)ethan-1-amine

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)OC(CN)C1=CC=CC=C1OC
InChI
InChI=1S/C12H19NO2/c1-9(2)15-12(8-13)10-6-4-5-7-11(10)14-3/h4-7,9,12H,8,13H2,1-3H3
InChIKey
OTFBILKLUKSVON-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-2-propan-2-yloxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.5
[M+Na]+ 232.13081 155.1
[M-H]- 208.13431 152.4
[M+NH4]+ 227.17541 167.9
[M+K]+ 248.10475 154.1
[M+H-H2O]+ 192.13885 143.0
[M+HCOO]- 254.13979 171.9
[M+CH3COO]- 268.15544 191.5
[M+Na-2H]- 230.11626 152.0
[M]+ 209.14104 150.7
[M]- 209.14214 150.7
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.