CID 53440798

Schembl9482771

Structural Information

Molecular Formula
C11H17NO6
SMILES
CC(=O)C(=NOCC(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H17NO6/c1-7(13)9(10(15)18-11(2,3)4)12-17-6-8(14)16-5/h6H2,1-5H3
InChIKey
JDPTWNBRKKNMHW-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-methoxy-2-oxoethoxy)imino-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

259.1056 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.112876 155.0
[M+Na]+ 282.094818 160.5
[M-H]- 258.098324 156.6
[M+NH4]+ 277.139423 172.1
[M+K]+ 298.068758 162.9
[M+H-H2O]+ 242.102860 149.6
[M+HCOO]- 304.103801 176.6
[M+CH3COO]- 318.119451 199.3
[M+Na-2H]- 280.080266 156.9
[M]+ 259.10505142 162.0
[M]- 259.10614858 162.0
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

patents stripe