CID 28772289

N-(3-aminopropyl)-3-fluoro-n-methylaniline

Structural Information

Molecular Formula
C10H15FN2
SMILES
CN(CCCN)C1=CC(=CC=C1)F
InChI
InChI=1S/C10H15FN2/c1-13(7-3-6-12)10-5-2-4-9(11)8-10/h2,4-5,8H,3,6-7,12H2,1H3
InChIKey
NTMBCZNLOZGZSK-UHFFFAOYSA-N
Compound name
N'-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.12193 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.129206 139.6
[M+Na]+ 205.111148 146.0
[M-H]- 181.114654 142.7
[M+NH4]+ 200.155753 159.5
[M+K]+ 221.085088 144.3
[M+H-H2O]+ 165.119190 132.0
[M+HCOO]- 227.120131 164.6
[M+CH3COO]- 241.135781 190.7
[M+Na-2H]- 203.096596 144.6
[M]+ 182.12138142 137.8
[M]- 182.12247858 137.8
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.