CID 83866748

1782024-67-2

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)ON=C2C(=O)O
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)18-11(17)14-5-4-7-8(6-14)19-13-9(7)10(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKey
APZZGMWUQIBWQN-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 159.4
[M+Na]+ 291.09515 166.4
[M-H]- 267.09865 160.6
[M+NH4]+ 286.13975 174.1
[M+K]+ 307.06909 166.5
[M+H-H2O]+ 251.10319 153.3
[M+HCOO]- 313.10413 173.5
[M+CH3COO]- 327.11978 192.7
[M+Na-2H]- 289.08060 162.6
[M]+ 268.10538 161.5
[M]- 268.10648 161.5
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.