CID 61350856

1247567-61-8

Structural Information

Molecular Formula
C11H17FN2
SMILES
CCN(CCN)CC1=CC(=CC=C1)F
InChI
InChI=1S/C11H17FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3
InChIKey
CYSKDKJKTCAVEI-UHFFFAOYSA-N
Compound name
N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13757 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.144846 144.2
[M+Na]+ 219.126788 150.2
[M-H]- 195.130294 147.1
[M+NH4]+ 214.171393 163.6
[M+K]+ 235.100728 148.3
[M+H-H2O]+ 179.134830 136.5
[M+HCOO]- 241.135771 169.0
[M+CH3COO]- 255.151421 193.8
[M+Na-2H]- 217.112236 148.7
[M]+ 196.13702142 142.8
[M]- 196.13811858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.