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]+ 226.07100 146.5
[M+Na]+ 248.05294 155.6
[M+NH4]+ 243.09754 152.4
[M+K]+ 264.02688 155.0
[M-H]- 224.05644 146.2
[M+Na-2H]- 246.03839 147.5
[M]+ 225.06317 147.2
[M]- 225.06427 147.2
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.