CID 541934

2h-pyran-2-one, 4-methoxy-6-methyl-3-nitro-

Structural Information

Molecular Formula
C7H7NO5
SMILES
CC1=CC(=C(C(=O)O1)[N+](=O)[O-])OC
InChI
InChI=1S/C7H7NO5/c1-4-3-5(12-2)6(8(10)11)7(9)13-4/h3H,1-2H3
InChIKey
SEVAYKDUQQGCNA-UHFFFAOYSA-N
Compound name
4-methoxy-6-methyl-3-nitropyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.03242 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03970 131.5
[M+Na]+ 208.02164 141.4
[M-H]- 184.02514 137.1
[M+NH4]+ 203.06624 149.8
[M+K]+ 223.99558 138.1
[M+H-H2O]+ 168.02968 130.6
[M+HCOO]- 230.03062 157.8
[M+CH3COO]- 244.04627 175.4
[M+Na-2H]- 206.00709 140.9
[M]+ 185.03187 134.9
[M]- 185.03297 134.9
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.