CID 3075785

Brn 4187589

Structural Information

Molecular Formula
C12H13N3O
SMILES
CN(C)/C=C/1\CCC2=CNC(=O)C(=C21)C#N
InChI
InChI=1S/C12H13N3O/c1-15(2)7-9-4-3-8-6-14-12(16)10(5-13)11(8)9/h6-7H,3-4H2,1-2H3,(H,14,16)/b9-7+
InChIKey
FWYGAGXENHPASQ-VQHVLOKHSA-N
Compound name
(5E)-5-(dimethylaminomethylidene)-3-oxo-6,7-dihydro-2H-cyclopenta[c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 150.7
[M+Na]+ 238.09509 161.3
[M-H]- 214.09859 153.3
[M+NH4]+ 233.13969 168.7
[M+K]+ 254.06903 156.0
[M+H-H2O]+ 198.10313 137.5
[M+HCOO]- 260.10407 169.0
[M+CH3COO]- 274.11972 202.1
[M+Na-2H]- 236.08054 153.5
[M]+ 215.10532 144.8
[M]- 215.10642 144.8
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.