CID 603583

2,4-dimethyl-3-aza-spiro(5.5)undeca-1,4-diene-1,5-dicarbonitrile

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 160.5
[M+Na]+ 250.13146 170.5
[M-H]- 226.13496 163.2
[M+NH4]+ 245.17606 172.9
[M+K]+ 266.10540 163.1
[M+H-H2O]+ 210.13950 145.5
[M+HCOO]- 272.14044 168.3
[M+CH3COO]- 286.15609 167.0
[M+Na-2H]- 248.11691 161.6
[M]+ 227.14169 148.7
[M]- 227.14279 148.7
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.