CID 146674

19430-83-2

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC(=CC(=C1)N)CC2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h1-7,9H,8,14-15H2
InChIKey
FGWQCROGAHMWSU-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8620
Patents

198.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 143.4
[M+Na]+ 221.104908 150.8
[M-H]- 197.108414 149.6
[M+NH4]+ 216.149513 161.8
[M+K]+ 237.078848 146.3
[M+H-H2O]+ 181.112950 136.3
[M+HCOO]- 243.113891 169.0
[M+CH3COO]- 257.129541 189.8
[M+Na-2H]- 219.090356 149.4
[M]+ 198.11514142 139.7
[M]- 198.11623858 139.7
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

patents stripe