CID 577386

1-(4-methylphenyl)ethylamine

Structural Information

Molecular Formula
C9H13N
SMILES
CC1=CC=C(C=C1)C(C)N
InChI
InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
InChIKey
UZDDXUMOXKDXNE-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

1618
Patents

135.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 128.5
[M+Na]+ 158.094018 135.8
[M-H]- 134.097524 132.0
[M+NH4]+ 153.138623 150.1
[M+K]+ 174.067958 134.0
[M+H-H2O]+ 118.102060 123.1
[M+HCOO]- 180.103001 152.5
[M+CH3COO]- 194.118651 177.4
[M+Na-2H]- 156.079466 134.1
[M]+ 135.10425142 126.4
[M]- 135.10534858 126.4
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