CID 54593140

3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H14FNO
SMILES
COC1=C(C=C(C=C1)C2CC(C2)N)F
InChI
InChI=1S/C11H14FNO/c1-14-11-3-2-7(6-10(11)12)8-4-9(13)5-8/h2-3,6,8-9H,4-5,13H2,1H3
InChIKey
SULQCLGDPZTVGI-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 140.0
[M+Na]+ 218.095158 146.9
[M-H]- 194.098664 145.2
[M+NH4]+ 213.139763 152.9
[M+K]+ 234.069098 147.3
[M+H-H2O]+ 178.103200 127.6
[M+HCOO]- 240.104141 161.6
[M+CH3COO]- 254.119791 191.0
[M+Na-2H]- 216.080606 143.3
[M]+ 195.10539142 146.2
[M]- 195.10648858 146.2
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.