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 157.4
[M+Na]+ 294.09482 164.1
[M-H]- 270.09832 160.3
[M+NH4]+ 289.13942 171.3
[M+K]+ 310.06876 165.8
[M+H-H2O]+ 254.10286 151.1
[M+HCOO]- 316.10380 174.4
[M+CH3COO]- 330.11945 195.6
[M+Na-2H]- 292.08027 160.8
[M]+ 271.10505 162.2
[M]- 271.10615 162.2
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.