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 145.2
[M+Na]+ 248.05294 152.6
[M-H]- 224.05644 147.8
[M+NH4]+ 243.09754 162.8
[M+K]+ 264.02688 152.7
[M+H-H2O]+ 208.06098 139.5
[M+HCOO]- 270.06192 162.9
[M+CH3COO]- 284.07757 184.8
[M+Na-2H]- 246.03839 148.5
[M]+ 225.06317 146.7
[M]- 225.06427 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.