CID 98690

2,2'-ethylenedianiline

Structural Information

Molecular Formula
C14H16N2
SMILES
C1=CC=C(C(=C1)CCC2=CC=CC=C2N)N
InChI
InChI=1S/C14H16N2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2
InChIKey
ZYHQGITXIJDDKC-UHFFFAOYSA-N
Compound name
2-[2-(2-aminophenyl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9003
Patents

212.13135 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.0
[M+Na]+ 235.12057 154.9
[M-H]- 211.12407 153.9
[M+NH4]+ 230.16517 165.8
[M+K]+ 251.09451 150.2
[M+H-H2O]+ 195.12861 140.6
[M+HCOO]- 257.12955 173.2
[M+CH3COO]- 271.14520 192.9
[M+Na-2H]- 233.10602 153.4
[M]+ 212.13080 144.5
[M]- 212.13190 144.5
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