CID 11065306

(2s,4r)-2-{[(tert-butoxy)carbonyl]amino}-4-carbamoyl-4-fluorobutanoic acid

Structural Information

Molecular Formula
C10H17FN2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](C[C@H](C(=O)N)F)C(=O)O
InChI
InChI=1S/C10H17FN2O5/c1-10(2,3)18-9(17)13-6(8(15)16)4-5(11)7(12)14/h5-6H,4H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t5-,6+/m1/s1
InChIKey
WUKLZVZAGWSHGJ-RITPCOANSA-N
Compound name
(2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11215 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11943 157.9
[M+Na]+ 287.10137 161.4
[M-H]- 263.10487 154.6
[M+NH4]+ 282.14597 172.4
[M+K]+ 303.07531 162.4
[M+H-H2O]+ 247.10941 151.5
[M+HCOO]- 309.11035 174.6
[M+CH3COO]- 323.12600 199.3
[M+Na-2H]- 285.08682 156.1
[M]+ 264.11160 155.9
[M]- 264.11270 155.9
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

No patent data available for this compound.