CID 44304

3419-49-6

Structural Information

Molecular Formula
C13H13N
SMILES
CC1=C(C=CC(=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C13H13N/c1-10-9-12(7-8-13(10)14)11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKey
WAFBISYQIGCOQU-UHFFFAOYSA-N
Compound name
2-methyl-4-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

153
Patents

183.1048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.112076 139.1
[M+Na]+ 206.094018 147.3
[M-H]- 182.097524 145.8
[M+NH4]+ 201.138623 158.7
[M+K]+ 222.067958 143.2
[M+H-H2O]+ 166.102060 132.3
[M+HCOO]- 228.103001 164.3
[M+CH3COO]- 242.118651 185.4
[M+Na-2H]- 204.079466 145.7
[M]+ 183.10425142 136.9
[M]- 183.10534858 136.9
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