CID 95498

2,4-dicyano-3-methylglutaramide

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CC(C(C#N)C(=O)N)C(C#N)C(=O)N
InChI
InChI=1S/C8H10N4O2/c1-4(5(2-9)7(11)13)6(3-10)8(12)14/h4-6H,1H3,(H2,11,13)(H2,12,14)
InChIKey
XLQBCZSOEGHLAA-UHFFFAOYSA-N
Compound name
2,4-dicyano-3-methylpentanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

194.08037 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 160.9
[M+Na]+ 217.06959 166.9
[M-H]- 193.07309 161.9
[M+NH4]+ 212.11419 172.2
[M+K]+ 233.04353 167.7
[M+H-H2O]+ 177.07763 145.7
[M+HCOO]- 239.07857 170.9
[M+CH3COO]- 253.09422 220.6
[M+Na-2H]- 215.05504 157.7
[M]+ 194.07982 150.2
[M]- 194.08092 150.2
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