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]+ 208.169586 151.0
[M+Na]+ 230.151528 156.2
[M-H]- 206.155034 153.8
[M+NH4]+ 225.196133 169.5
[M+K]+ 246.125468 154.4
[M+H-H2O]+ 190.159570 144.5
[M+HCOO]- 252.160511 172.8
[M+CH3COO]- 266.176161 192.5
[M+Na-2H]- 228.136976 153.0
[M]+ 207.16176142 151.1
[M]- 207.16285858 151.1
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.