CID 58853

101756-35-8

Structural Information

Molecular Formula

C₁₁H₁₀N₄O

SMILES

CC1=C(C=CC(=C1)OC)NN=C(C#N)C#N

InChI

InChI=1S/C11H10N4O/c1-8-5-10(16-2)3-4-11(8)15-14-9(6-12)7-13/h3-5,15H,1-2H3

InChIKey

DNEMFBSWTYHHKZ-UHFFFAOYSA-N

Compound name

2-[(4-methoxy-2-methylphenyl)hydrazinylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.08546 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.09274	160.5
[M+Na]+	237.07468	169.3
[M-H]-	213.07818	164.5
[M+NH4]+	232.11928	172.6
[M+K]+	253.04862	167.0
[M+H-H2O]+	197.08272	144.6
[M+HCOO]-	259.08366	174.9
[M+CH3COO]-	273.09931	223.6
[M+Na-2H]-	235.06013	162.2
[M]+	214.08491	153.0
[M]-	214.08601	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe