CID 3506338

1-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H14FNO
SMILES
COC1=C(C=C(C=C1)C(C2CC2)N)F
InChI
InChI=1S/C11H14FNO/c1-14-10-5-4-8(6-9(10)12)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3
InChIKey
VGILOFBZADFBBZ-UHFFFAOYSA-N
Compound name
cyclopropyl-(3-fluoro-4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 136.5
[M+Na]+ 218.095158 145.7
[M-H]- 194.098664 142.7
[M+NH4]+ 213.139763 150.9
[M+K]+ 234.069098 142.3
[M+H-H2O]+ 178.103200 129.1
[M+HCOO]- 240.104141 159.6
[M+CH3COO]- 254.119791 190.8
[M+Na-2H]- 216.080606 140.7
[M]+ 195.10539142 137.1
[M]- 195.10648858 137.1
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.