CID 67195070

2,3,4,4a,9,9a-hexahydro-1h-indeno[2,1-b]pyridine-6-carbonitrile

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CC2C(CC3=C2C=C(C=C3)C#N)NC1
InChI
InChI=1S/C13H14N2/c14-8-9-3-4-10-7-13-11(12(10)6-9)2-1-5-15-13/h3-4,6,11,13,15H,1-2,5,7H2
InChIKey
ATFNCVQXGHVSGG-UHFFFAOYSA-N
Compound name
2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

198.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 145.8
[M+Na]+ 221.104908 155.9
[M-H]- 197.108414 147.2
[M+NH4]+ 216.149513 164.9
[M+K]+ 237.078848 147.3
[M+H-H2O]+ 181.112950 133.1
[M+HCOO]- 243.113891 159.5
[M+CH3COO]- 257.129541 156.2
[M+Na-2H]- 219.090356 150.1
[M]+ 198.11514142 136.0
[M]- 198.11623858 136.0
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

patents stripe