CID 67025435

Methyl 3-amino-3-(4-fluorophenyl)butanoate

Structural Information

Molecular Formula
C11H14FNO2
SMILES
CC(CC(=O)OC)(C1=CC=C(C=C1)F)N
InChI
InChI=1S/C11H14FNO2/c1-11(13,7-10(14)15-2)8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3
InChIKey
WHGGJOBSKSUZEE-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-(4-fluorophenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.10086 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 146.8
[M+Na]+ 234.09008 156.6
[M+NH4]+ 229.13468 153.4
[M+K]+ 250.06402 151.9
[M-H]- 210.09358 146.5
[M+Na-2H]- 232.07553 151.7
[M]+ 211.10031 147.9
[M]- 211.10141 147.9
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

patents stripe