CID 333732

Nsc337600

Structural Information

Molecular Formula
C9H11NO4
SMILES
CC1(CNC(=O)C2=C(O1)C(=O)OC2)C
InChI
InChI=1S/C9H11NO4/c1-9(2)4-10-7(11)5-3-13-8(12)6(5)14-9/h3-4H2,1-2H3,(H,10,11)
InChIKey
OTRASLLSDJGAKQ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4,6-dihydro-3H-furo[3,4-f][1,4]oxazepine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 134.5
[M+Na]+ 220.05802 142.2
[M-H]- 196.06152 139.2
[M+NH4]+ 215.10262 152.9
[M+K]+ 236.03196 145.1
[M+H-H2O]+ 180.06606 129.9
[M+HCOO]- 242.06700 151.2
[M+CH3COO]- 256.08265 181.7
[M+Na-2H]- 218.04347 140.6
[M]+ 197.06825 132.1
[M]- 197.06935 132.1
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.