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]+ 186.039696 131.5
[M+Na]+ 208.021638 141.4
[M-H]- 184.025144 137.1
[M+NH4]+ 203.066243 149.8
[M+K]+ 223.995578 138.1
[M+H-H2O]+ 168.029680 130.6
[M+HCOO]- 230.030621 157.8
[M+CH3COO]- 244.046271 175.4
[M+Na-2H]- 206.007086 140.9
[M]+ 185.03187142 134.9
[M]- 185.03296858 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.