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 145.6
[M+Na]+ 234.09008 152.8
[M-H]- 210.09358 147.6
[M+NH4]+ 229.13468 164.1
[M+K]+ 250.06402 150.9
[M+H-H2O]+ 194.09812 139.0
[M+HCOO]- 256.09906 167.0
[M+CH3COO]- 270.11471 189.1
[M+Na-2H]- 232.07553 150.2
[M]+ 211.10031 144.7
[M]- 211.10141 144.7
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