CID 118704858

156047-44-8

Structural Information

Molecular Formula
C12H22FNO4
SMILES
CC(C)(C)OC(=O)N(C)[C@@H](CC(C)(C)F)C(=O)O
InChI
InChI=1S/C12H22FNO4/c1-11(2,3)18-10(17)14(6)8(9(15)16)7-12(4,5)13/h8H,7H2,1-6H3,(H,15,16)/t8-/m0/s1
InChIKey
YDLHWKNKFAPLAJ-QMMMGPOBSA-N
Compound name
(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

263.1533 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.16058 158.8
[M+Na]+ 286.14252 163.5
[M-H]- 262.14602 157.7
[M+NH4]+ 281.18712 175.4
[M+K]+ 302.11646 165.1
[M+H-H2O]+ 246.15056 153.5
[M+HCOO]- 308.15150 175.2
[M+CH3COO]- 322.16715 201.2
[M+Na-2H]- 284.12797 159.9
[M]+ 263.15275 161.0
[M]- 263.15385 161.0
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