CID 3019205

2-hydroxy-4,4,6,6-tetramethyl-3-nitrocyclohex-2-en-1-one

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC1(CC(C(=O)C(=C1[N+](=O)[O-])O)(C)C)C
InChI
InChI=1S/C10H15NO4/c1-9(2)5-10(3,4)8(13)6(12)7(9)11(14)15/h12H,5H2,1-4H3
InChIKey
XUKDJCXTIFFHIE-UHFFFAOYSA-N
Compound name
2-hydroxy-4,4,6,6-tetramethyl-3-nitrocyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.10011 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 139.5
[M+Na]+ 236.089328 148.7
[M-H]- 212.092834 142.9
[M+NH4]+ 231.133933 161.6
[M+K]+ 252.063268 143.6
[M+H-H2O]+ 196.097370 141.5
[M+HCOO]- 258.098311 161.2
[M+CH3COO]- 272.113961 180.6
[M+Na-2H]- 234.074776 146.5
[M]+ 213.09956142 138.7
[M]- 213.10065858 138.7
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

patents stripe