CID 3075787

Brn 4190005

Structural Information

Molecular Formula
C14H17N3O
SMILES
CCN1C=C2CC/C(=C\N(C)C)/C2=C(C1=O)C#N
InChI
InChI=1S/C14H17N3O/c1-4-17-9-11-6-5-10(8-16(2)3)13(11)12(7-15)14(17)18/h8-9H,4-6H2,1-3H3/b10-8+
InChIKey
GDAPOYMHTWXEJZ-CSKARUKUSA-N
Compound name
(5E)-5-(dimethylaminomethylidene)-2-ethyl-3-oxo-6,7-dihydrocyclopenta[c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.13716 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 157.0
[M+Na]+ 266.12638 168.0
[M-H]- 242.12988 160.9
[M+NH4]+ 261.17098 174.9
[M+K]+ 282.10032 163.0
[M+H-H2O]+ 226.13442 143.6
[M+HCOO]- 288.13536 176.1
[M+CH3COO]- 302.15101 210.9
[M+Na-2H]- 264.11183 158.7
[M]+ 243.13661 153.7
[M]- 243.13771 153.7
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.