CID 146082157

2408965-15-9

Structural Information

Molecular Formula
C10H11NO5
SMILES
COC(=O)C1=C2COCCN2C(=C1)C(=O)O
InChI
InChI=1S/C10H11NO5/c1-15-10(14)6-4-7(9(12)13)11-2-3-16-5-8(6)11/h4H,2-3,5H2,1H3,(H,12,13)
InChIKey
MPVMECUWYOUDOF-UHFFFAOYSA-N
Compound name
8-methoxycarbonyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06372 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.070996 145.2
[M+Na]+ 248.052938 152.6
[M-H]- 224.056444 147.8
[M+NH4]+ 243.097543 162.8
[M+K]+ 264.026878 152.7
[M+H-H2O]+ 208.060980 139.5
[M+HCOO]- 270.061921 162.9
[M+CH3COO]- 284.077571 184.8
[M+Na-2H]- 246.038386 148.5
[M]+ 225.06317142 146.7
[M]- 225.06426858 146.7
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.