CID 72895

13472-00-9

Structural Information

Molecular Formula
C8H12N2
SMILES
C1=CC(=CC=C1CCN)N
InChI
InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2
InChIKey
LNPMZQXEPNWCMG-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

3613
Patents

136.10005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 127.6
[M+Na]+ 159.089268 134.8
[M-H]- 135.092774 130.6
[M+NH4]+ 154.133873 148.6
[M+K]+ 175.063208 132.3
[M+H-H2O]+ 119.097310 121.8
[M+HCOO]- 181.098251 153.3
[M+CH3COO]- 195.113901 177.8
[M+Na-2H]- 157.074716 134.2
[M]+ 136.09950142 124.1
[M]- 136.10059858 124.1
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