CID 155858900

2580177-80-4

Structural Information

Molecular Formula
C12H17NO6
SMILES
CC(C)(C)OC(=O)N1C=C(OCC1C(=O)OC)C=O
InChI
InChI=1S/C12H17NO6/c1-12(2,3)19-11(16)13-5-8(6-14)18-7-9(13)10(15)17-4/h5-6,9H,7H2,1-4H3
InChIKey
RSEXZDMQSNJPRL-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 3-O-methyl 6-formyl-2,3-dihydro-1,4-oxazine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1056 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11288 158.7
[M+Na]+ 294.09482 167.4
[M+NH4]+ 289.13942 162.6
[M+K]+ 310.06876 165.9
[M-H]- 270.09832 157.2
[M+Na-2H]- 292.08027 159.8
[M]+ 271.10505 159.1
[M]- 271.10615 159.1
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.