CID 156469

1-(4-isobutylphenyl)ethanamine

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)CC1=CC=C(C=C1)C(C)N
InChI
InChI=1S/C12H19N/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10H,8,13H2,1-3H3
InChIKey
OLAOEFIPECGPEM-UHFFFAOYSA-N
Compound name
1-[4-(2-methylpropyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

177.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.5
[M+Na]+ 200.14097 154.0
[M+NH4]+ 195.18557 151.4
[M+K]+ 216.11491 147.6
[M-H]- 176.14447 145.6
[M+Na-2H]- 198.12642 148.8
[M]+ 177.15120 145.0
[M]- 177.15230 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe