CID 146486

19471-12-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14497
Patents

198.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.4
[M+Na]+ 221.10491 150.8
[M-H]- 197.10841 149.6
[M+NH4]+ 216.14951 161.8
[M+K]+ 237.07885 146.3
[M+H-H2O]+ 181.11295 136.3
[M+HCOO]- 243.11389 169.0
[M+CH3COO]- 257.12954 189.8
[M+Na-2H]- 219.09036 149.4
[M]+ 198.11514 139.7
[M]- 198.11624 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

literature stripe

Patent stripe

patents stripe