CID 115033824

1889011-16-8

Structural Information

Molecular Formula
C12H14FNO2
SMILES
COC(=O)C1(CC(C1)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FNO2/c1-16-11(15)12(6-10(14)7-12)8-2-4-9(13)5-3-8/h2-5,10H,6-7,14H2,1H3
InChIKey
GDXDRJLPQNGQHV-UHFFFAOYSA-N
Compound name
methyl 3-amino-1-(4-fluorophenyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10086 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 149.9
[M+Na]+ 246.09008 156.1
[M-H]- 222.09358 155.0
[M+NH4]+ 241.13468 163.1
[M+K]+ 262.06402 156.9
[M+H-H2O]+ 206.09812 137.9
[M+HCOO]- 268.09906 170.4
[M+CH3COO]- 282.11471 193.7
[M+Na-2H]- 244.07553 152.9
[M]+ 223.10031 156.2
[M]- 223.10141 156.2
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.