CID 4640615

2,5-dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide

Structural Information

Molecular Formula
C10H8N4
SMILES
CC1=CC(=NC#N)C(=CC1=NC#N)C
InChI
InChI=1S/C10H8N4/c1-7-3-10(14-6-12)8(2)4-9(7)13-5-11/h3-4H,1-2H3
InChIKey
GJCNOUWCQVLIEI-UHFFFAOYSA-N
Compound name
(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

184.07489 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 153.5
[M+Na]+ 207.06411 163.3
[M-H]- 183.06761 158.8
[M+NH4]+ 202.10871 167.1
[M+K]+ 223.03805 160.7
[M+H-H2O]+ 167.07215 138.1
[M+HCOO]- 229.07309 168.8
[M+CH3COO]- 243.08874 221.5
[M+Na-2H]- 205.04956 155.8
[M]+ 184.07434 145.5
[M]- 184.07544 145.5
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.