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]+ 196.11322 136.5
[M+Na]+ 218.09516 145.7
[M-H]- 194.09866 142.7
[M+NH4]+ 213.13976 150.9
[M+K]+ 234.06910 142.3
[M+H-H2O]+ 178.10320 129.1
[M+HCOO]- 240.10414 159.6
[M+CH3COO]- 254.11979 190.8
[M+Na-2H]- 216.08061 140.7
[M]+ 195.10539 137.1
[M]- 195.10649 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.