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
2
Annotation Hits

0
References

5
Patents

216.08987 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 144.7
[M+Na]+ 239.079088 155.7
[M-H]- 215.082594 151.1
[M+NH4]+ 234.123693 164.4
[M+K]+ 255.053028 147.4
[M+H-H2O]+ 199.087130 143.8
[M+HCOO]- 261.088071 173.7
[M+CH3COO]- 275.103721 187.6
[M+Na-2H]- 237.064536 150.9
[M]+ 216.08932142 145.2
[M]- 216.09041858 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