CID 7064114

N-(2-aminoethyl)-n-methylaniline

Structural Information

Molecular Formula
C9H14N2
SMILES
CN(CCN)C1=CC=CC=C1
InChI
InChI=1S/C9H14N2/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,7-8,10H2,1H3
InChIKey
GCGMQDJOIHALPF-UHFFFAOYSA-N
Compound name
N'-methyl-N'-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

150.11569 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.4
[M+Na]+ 173.10491 138.2
[M-H]- 149.10841 136.8
[M+NH4]+ 168.14951 153.4
[M+K]+ 189.07885 137.3
[M+H-H2O]+ 133.11295 125.9
[M+HCOO]- 195.11389 158.9
[M+CH3COO]- 209.12954 183.9
[M+Na-2H]- 171.09036 139.4
[M]+ 150.11514 131.0
[M]- 150.11624 131.0
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