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]+ 196.11322 140.0
[M+Na]+ 218.09516 146.9
[M-H]- 194.09866 145.2
[M+NH4]+ 213.13976 152.9
[M+K]+ 234.06910 147.3
[M+H-H2O]+ 178.10320 127.6
[M+HCOO]- 240.10414 161.6
[M+CH3COO]- 254.11979 191.0
[M+Na-2H]- 216.08061 143.3
[M]+ 195.10539 146.2
[M]- 195.10649 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.