CID 337056

77931-63-6

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=NOC2=C1NC(=O)OCC2
InChI
InChI=1S/C7H8N2O3/c1-4-6-5(12-9-4)2-3-11-7(10)8-6/h2-3H2,1H3,(H,8,10)
InChIKey
LKQZEUSXEROTKP-UHFFFAOYSA-N
Compound name
3-methyl-7,8-dihydro-4H-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 128.0
[M+Na]+ 191.04272 135.7
[M-H]- 167.04622 131.3
[M+NH4]+ 186.08732 144.3
[M+K]+ 207.01666 139.1
[M+H-H2O]+ 151.05076 121.5
[M+HCOO]- 213.05170 145.2
[M+CH3COO]- 227.06735 140.9
[M+Na-2H]- 189.02817 135.0
[M]+ 168.05295 125.4
[M]- 168.05405 125.4
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.