CID 11011090

Methyl (4r)-4-{[(tert-butoxy)carbonyl]amino}-5-methyl-2-methylidenehexanoate

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)[C@@H](CC(=C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-9(2)11(8-10(3)12(16)18-7)15-13(17)19-14(4,5)6/h9,11H,3,8H2,1-2,4-7H3,(H,15,17)/t11-/m1/s1
InChIKey
XAAVTQIOKDWBOA-LLVKDONJSA-N
Compound name
methyl (4R)-5-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 166.0
[M+Na]+ 294.16756 169.6
[M-H]- 270.17106 165.8
[M+NH4]+ 289.21216 182.2
[M+K]+ 310.14150 170.5
[M+H-H2O]+ 254.17560 160.8
[M+HCOO]- 316.17654 183.5
[M+CH3COO]- 330.19219 203.4
[M+Na-2H]- 292.15301 164.2
[M]+ 271.17779 169.3
[M]- 271.17889 169.3
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

No patent data available for this compound.