CID 64146458

2-{[(tert-butoxy)carbonyl]amino}-4-(propan-2-yloxy)butanoic acid

Structural Information

Molecular Formula
C12H23NO5
SMILES
CC(C)OCCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO5/c1-8(2)17-7-6-9(10(14)15)13-11(16)18-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
PZPXSBUQUCRLAG-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16490 161.4
[M+Na]+ 284.14684 166.0
[M+NH4]+ 279.19144 164.7
[M+K]+ 300.12078 165.4
[M-H]- 260.15034 156.8
[M+Na-2H]- 282.13229 160.0
[M]+ 261.15707 160.0
[M]- 261.15817 160.0
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

No patent data available for this compound.