CID 9570245

Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CCOC(=O)/C(=N/NC1=CC=C(C=C1)C)/C#N
InChI
InChI=1S/C12H13N3O2/c1-3-17-12(16)11(8-13)15-14-10-6-4-9(2)5-7-10/h4-7,14H,3H2,1-2H3/b15-11+
InChIKey
LJJWDVKQLWYWDW-RVDMUPIBSA-N
Compound name
ethyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.108046 155.5
[M+Na]+ 254.089988 163.1
[M-H]- 230.093494 159.4
[M+NH4]+ 249.134593 171.3
[M+K]+ 270.063928 161.3
[M+H-H2O]+ 214.098030 141.6
[M+HCOO]- 276.098971 177.2
[M+CH3COO]- 290.114621 208.5
[M+Na-2H]- 252.075436 159.1
[M]+ 231.10022142 151.6
[M]- 231.10131858 151.6
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.