CID 15931648

141734-32-9

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NCCC(=O)CC(=O)OC
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-5-8(13)7-9(14)16-4/h5-7H2,1-4H3,(H,12,15)
InChIKey
VVNVQQGRRYDFEP-UHFFFAOYSA-N
Compound name
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

245.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 156.2
[M+Na]+ 268.11555 162.0
[M+NH4]+ 263.16015 160.0
[M+K]+ 284.08949 160.4
[M-H]- 244.11905 152.1
[M+Na-2H]- 266.10100 156.0
[M]+ 245.12578 155.2
[M]- 245.12688 155.2
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

patents stripe