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

26
Patents

198.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 145.8
[M+Na]+ 221.10491 155.9
[M-H]- 197.10841 147.2
[M+NH4]+ 216.14951 164.9
[M+K]+ 237.07885 147.3
[M+H-H2O]+ 181.11295 133.1
[M+HCOO]- 243.11389 159.5
[M+CH3COO]- 257.12954 156.2
[M+Na-2H]- 219.09036 150.1
[M]+ 198.11514 136.0
[M]- 198.11624 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