CID 16785189

1-[3-methoxy-4-(propan-2-yloxy)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)OC1=C(C=C(C=C1)C(C)N)OC
InChI
InChI=1S/C12H19NO2/c1-8(2)15-11-6-5-10(9(3)13)7-12(11)14-4/h5-9H,13H2,1-4H3
InChIKey
NRBXQSDGZCXNRK-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.9
[M+Na]+ 232.130808 155.4
[M-H]- 208.134314 152.2
[M+NH4]+ 227.175413 167.6
[M+K]+ 248.104748 154.5
[M+H-H2O]+ 192.138850 142.7
[M+HCOO]- 254.139791 171.3
[M+CH3COO]- 268.155441 192.7
[M+Na-2H]- 230.116256 150.7
[M]+ 209.14104142 150.5
[M]- 209.14213858 150.5
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