CID 132354142

2138074-59-4

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC(=O)C1=C2COCCN2C(=C1)C=O
InChI
InChI=1S/C10H11NO4/c1-14-10(13)8-4-7(5-12)11-2-3-15-6-9(8)11/h4-5H,2-3,6H2,1H3
InChIKey
YDYPQXCLHXKLSI-UHFFFAOYSA-N
Compound name
methyl 6-formyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 141.9
[M+Na]+ 232.05802 150.2
[M-H]- 208.06152 145.7
[M+NH4]+ 227.10262 161.0
[M+K]+ 248.03196 150.1
[M+H-H2O]+ 192.06606 135.9
[M+HCOO]- 254.06700 161.9
[M+CH3COO]- 268.08265 184.1
[M+Na-2H]- 230.04347 146.7
[M]+ 209.06825 144.4
[M]- 209.06935 144.4
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.