CID 76184

2904-60-1

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=C(C(=C=[N+]=O)C(=C(C1=C=N[O-])C)C)C
InChI
InChI=1S/C12H12N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h1-4H3
InChIKey
RPJCZVIYUCJOSA-UHFFFAOYSA-N
Compound name
oxo-[[2,3,5,6-tetramethyl-4-(oxidoiminomethylidene)cyclohexa-2,5-dien-1-ylidene]methylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.08987 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 144.7
[M+Na]+ 239.07909 155.7
[M-H]- 215.08259 151.1
[M+NH4]+ 234.12369 164.4
[M+K]+ 255.05303 147.4
[M+H-H2O]+ 199.08713 143.8
[M+HCOO]- 261.08807 173.7
[M+CH3COO]- 275.10372 187.6
[M+Na-2H]- 237.06454 150.9
[M]+ 216.08932 145.2
[M]- 216.09042 145.2
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