CID 57936

P-(1-ethylpropoxy)-alpha-methylbenzylamine

Structural Information

Molecular Formula
C13H21NO
SMILES
CCC(CC)OC1=CC=C(C=C1)C(C)N
InChI
InChI=1S/C13H21NO/c1-4-12(5-2)15-13-8-6-11(7-9-13)10(3)14/h6-10,12H,4-5,14H2,1-3H3
InChIKey
BUFYHWMNMNEQOW-UHFFFAOYSA-N
Compound name
1-(4-pentan-3-yloxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 150.1
[M+Na]+ 230.15153 160.9
[M+NH4]+ 225.19613 158.2
[M+K]+ 246.12547 154.8
[M-H]- 206.15503 152.6
[M+Na-2H]- 228.13698 155.6
[M]+ 207.16176 152.2
[M]- 207.16286 152.2
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.