CID 9570641

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

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1=CC=C(C=C1)N/N=C(\C#N)/C(=O)OC
InChI
InChI=1S/C11H11N3O2/c1-8-3-5-9(6-4-8)13-14-10(7-12)11(15)16-2/h3-6,13H,1-2H3/b14-10+
InChIKey
LDHNFMLZRGNDJH-GXDHUFHOSA-N
Compound name
methyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 151.5
[M+Na]+ 240.074348 159.5
[M-H]- 216.077854 155.6
[M+NH4]+ 235.118953 167.8
[M+K]+ 256.048288 157.9
[M+H-H2O]+ 200.082390 137.8
[M+HCOO]- 262.083331 173.6
[M+CH3COO]- 276.098981 205.8
[M+Na-2H]- 238.059796 155.6
[M]+ 217.08458142 147.3
[M]- 217.08567858 147.3
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.