CID 6479817

Boc-vq-oet

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N2O5/c1-5-20-12(18)9-7-10(6-8-11(15)17)16-13(19)21-14(2,3)4/h7,9-10H,5-6,8H2,1-4H3,(H2,15,17)(H,16,19)/b9-7+/t10-/m0/s1
InChIKey
ULHFBSRHJYALPT-PCYYEKQGSA-N
Compound name
ethyl (E,4S)-7-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxohept-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.16852 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 172.6
[M+Na]+ 323.15774 175.6
[M-H]- 299.16124 171.6
[M+NH4]+ 318.20234 186.8
[M+K]+ 339.13168 175.7
[M+H-H2O]+ 283.16578 166.4
[M+HCOO]- 345.16672 191.8
[M+CH3COO]- 359.18237 207.6
[M+Na-2H]- 321.14319 171.3
[M]+ 300.16797 175.2
[M]- 300.16907 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.