CID 9570642

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

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CCCOC(=O)/C(=N/NC1=CC=C(C=C1)C)/C#N
InChI
InChI=1S/C13H15N3O2/c1-3-8-18-13(17)12(9-14)16-15-11-6-4-10(2)5-7-11/h4-7,15H,3,8H2,1-2H3/b16-12+
InChIKey
NRUINKYUDGBDCK-FOWTUZBSSA-N
Compound name
propyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 159.4
[M+Na]+ 268.105638 166.7
[M-H]- 244.109144 163.2
[M+NH4]+ 263.150243 174.7
[M+K]+ 284.079578 164.6
[M+H-H2O]+ 228.113680 145.4
[M+HCOO]- 290.114621 180.9
[M+CH3COO]- 304.130271 211.2
[M+Na-2H]- 266.091086 162.5
[M]+ 245.11587142 155.9
[M]- 245.11696858 155.9
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.