CID 28772287

N-(3-aminopropyl)-2-fluoro-n-methylaniline

Structural Information

Molecular Formula
C10H15FN2
SMILES
CN(CCCN)C1=CC=CC=C1F
InChI
InChI=1S/C10H15FN2/c1-13(8-4-7-12)10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8,12H2,1H3
InChIKey
CTWCROAQADYWAQ-UHFFFAOYSA-N
Compound name
N'-(2-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]+ 183.12921 139.6
[M+Na]+ 205.11115 146.0
[M-H]- 181.11465 142.7
[M+NH4]+ 200.15575 159.5
[M+K]+ 221.08509 144.3
[M+H-H2O]+ 165.11919 132.0
[M+HCOO]- 227.12013 164.6
[M+CH3COO]- 241.13578 190.7
[M+Na-2H]- 203.09660 144.6
[M]+ 182.12138 137.8
[M]- 182.12248 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.