CID 2771742

3-(1-aminoethyl)aniline

Structural Information

Molecular Formula
C8H12N2
SMILES
CC(C1=CC(=CC=C1)N)N
InChI
InChI=1S/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3
InChIKey
MBWYRMCXWROJMP-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

564
Patents

136.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 128.6
[M+Na]+ 159.089268 135.4
[M-H]- 135.092774 131.6
[M+NH4]+ 154.133873 149.5
[M+K]+ 175.063208 133.5
[M+H-H2O]+ 119.097310 122.8
[M+HCOO]- 181.098251 153.3
[M+CH3COO]- 195.113901 178.7
[M+Na-2H]- 157.074716 133.8
[M]+ 136.09950142 124.3
[M]- 136.10059858 124.3
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