CID 603583

53219-48-0

Structural Information

Molecular Formula
C14H17N3
SMILES
CC1=C(C2(CCCCC2)C(=C(N1)C)C#N)C#N
InChI
InChI=1S/C14H17N3/c1-10-12(8-15)14(6-4-3-5-7-14)13(9-16)11(2)17-10/h17H,3-7H2,1-2H3
InChIKey
SDROFXSJNCLDKS-UHFFFAOYSA-N
Compound name
2,4-dimethyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 175.4
[M+Na]+ 250.13146 183.9
[M+NH4]+ 245.17606 177.1
[M+K]+ 266.10540 171.7
[M-H]- 226.13496 166.1
[M+Na-2H]- 248.11691 175.0
[M]+ 227.14169 172.8
[M]- 227.14279 172.8
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.