CID 337055

77931-65-8

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1=NOC2=C1NC(=O)OC(C2)(C)C
InChI
InChI=1S/C9H12N2O3/c1-5-7-6(14-11-5)4-9(2,3)13-8(12)10-7/h4H2,1-3H3,(H,10,12)
InChIKey
SSZRWCKRZZYAAF-UHFFFAOYSA-N
Compound name
3,7,7-trimethyl-4,8-dihydro-[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

196.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 136.0
[M+Na]+ 219.07402 144.7
[M-H]- 195.07752 139.7
[M+NH4]+ 214.11862 153.4
[M+K]+ 235.04796 147.4
[M+H-H2O]+ 179.08206 129.7
[M+HCOO]- 241.08300 152.5
[M+CH3COO]- 255.09865 148.8
[M+Na-2H]- 217.05947 142.4
[M]+ 196.08425 134.7
[M]- 196.08535 134.7
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.