CID 125060293

2031269-37-9

Structural Information

Molecular Formula

C₈H₁₁N₃O₃

SMILES

COC(=O)C1=C(N=C2N1CCOC2)N

InChI

InChI=1S/C8H11N3O3/c1-13-8(12)6-7(9)10-5-4-14-3-2-11(5)6/h2-4,9H2,1H3

InChIKey

UADNYPICVZKLNY-UHFFFAOYSA-N

Compound name

methyl 2-amino-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.08005 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.087326	140.3
[M+Na]+	220.069268	148.4
[M-H]-	196.072774	142.5
[M+NH4]+	215.113873	158.0
[M+K]+	236.043208	148.2
[M+H-H2O]+	180.077310	133.3
[M+HCOO]-	242.078251	159.7
[M+CH3COO]-	256.093901	184.0
[M+Na-2H]-	218.054716	145.2
[M]+	197.07950142	140.2
[M]-	197.08059858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.