CID 201830

T 398

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

9
Patents

160.0848 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 130.7
[M+Na]+ 183.07402 137.0
[M-H]- 159.07752 133.5
[M+NH4]+ 178.11862 150.1
[M+K]+ 199.04796 134.5
[M+H-H2O]+ 143.08206 130.0
[M+HCOO]- 205.08300 151.2
[M+CH3COO]- 219.09865 170.0
[M+Na-2H]- 181.05947 140.2
[M]+ 160.08425 127.4
[M]- 160.08535 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