CID 201830

2h-1,3-oxazine, tetrahydro-3,5-dimethyl-5-nitro-, hydrochloride

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CC1(CN(COC1)C)[N+](=O)[O-]
InChI
InChI=1S/C6H12N2O3/c1-6(8(9)10)3-7(2)5-11-4-6/h3-5H2,1-2H3
InChIKey
NEACXASRQZHDPP-UHFFFAOYSA-N
Compound name
3,5-dimethyl-5-nitro-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

160.0848 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 130.7
[M+Na]+ 183.074018 137.0
[M-H]- 159.077524 133.5
[M+NH4]+ 178.118623 150.1
[M+K]+ 199.047958 134.5
[M+H-H2O]+ 143.082060 130.0
[M+HCOO]- 205.083001 151.2
[M+CH3COO]- 219.098651 170.0
[M+Na-2H]- 181.059466 140.2
[M]+ 160.08425142 127.4
[M]- 160.08534858 127.4
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

patents stripe