CID 16788840

1171067-18-7

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(C)COC1=C(C=C(C=C1)C(C)N)OC
InChI
InChI=1S/C13H21NO2/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,9-10H,8,14H2,1-4H3
InChIKey
FKUDRWRDOHHYGQ-UHFFFAOYSA-N
Compound name
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.6
[M+Na]+ 246.14645 159.7
[M-H]- 222.14995 156.7
[M+NH4]+ 241.19105 171.7
[M+K]+ 262.12039 158.5
[M+H-H2O]+ 206.15449 147.2
[M+HCOO]- 268.15543 175.7
[M+CH3COO]- 282.17108 195.7
[M+Na-2H]- 244.13190 154.9
[M]+ 223.15668 155.6
[M]- 223.15778 155.6
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

No patent data available for this compound.