CID 9570166

Cyanoglyoxylic acid ethyl ester 2-m-tolylhydrazone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 156.3
[M+Na]+ 254.08999 165.7
[M+NH4]+ 249.13459 159.5
[M+K]+ 270.06393 157.1
[M-H]- 230.09349 151.0
[M+Na-2H]- 252.07544 159.0
[M]+ 231.10022 155.0
[M]- 231.10132 155.0
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.