CID 3054225

70974-14-0

Structural Information

Molecular Formula
C12H15FN2O3
SMILES
CC(C)(C(=O)OC)NC(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C12H15FN2O3/c1-12(2,10(16)18-3)15-11(17)14-9-6-4-8(13)5-7-9/h4-7H,1-3H3,(H2,14,15,17)
InChIKey
CRXVVILFPVTWBG-UHFFFAOYSA-N
Compound name
methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.10667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11395 155.7
[M+Na]+ 277.09589 161.6
[M-H]- 253.09939 158.1
[M+NH4]+ 272.14049 172.2
[M+K]+ 293.06983 160.4
[M+H-H2O]+ 237.10393 148.4
[M+HCOO]- 299.10487 177.8
[M+CH3COO]- 313.12052 198.6
[M+Na-2H]- 275.08134 160.0
[M]+ 254.10612 155.3
[M]- 254.10722 155.3
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