CID 59527990

Methyl 2-amino-2-(4-fluorophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H12FNO2
SMILES
CC(C1=CC=C(C=C1)F)(C(=O)OC)N
InChI
InChI=1S/C10H12FNO2/c1-10(12,9(13)14-2)7-3-5-8(11)6-4-7/h3-6H,12H2,1-2H3
InChIKey
GZZDDWRZNGTTGO-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(4-fluorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

197.0852 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09248 140.9
[M+Na]+ 220.07442 148.5
[M-H]- 196.07792 143.1
[M+NH4]+ 215.11902 159.9
[M+K]+ 236.04836 146.9
[M+H-H2O]+ 180.08246 134.5
[M+HCOO]- 242.08340 162.6
[M+CH3COO]- 256.09905 186.0
[M+Na-2H]- 218.05987 146.0
[M]+ 197.08465 139.6
[M]- 197.08575 139.6
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