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

25
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

literature stripe

Patent stripe

patents stripe