CID 79857819

1422469-43-9

Structural Information

Molecular Formula
C11H11ClN2
SMILES
CC1(CCC2=CC(=C(N=C21)Cl)C#N)C
InChI
InChI=1S/C11H11ClN2/c1-11(2)4-3-7-5-8(6-13)10(12)14-9(7)11/h5H,3-4H2,1-2H3
InChIKey
VBQZZZMWBAHYCL-UHFFFAOYSA-N
Compound name
2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

206.06108 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 144.1
[M+Na]+ 229.05030 158.1
[M-H]- 205.05380 147.3
[M+NH4]+ 224.09490 165.8
[M+K]+ 245.02424 150.4
[M+H-H2O]+ 189.05834 132.7
[M+HCOO]- 251.05928 158.4
[M+CH3COO]- 265.07493 156.7
[M+Na-2H]- 227.03575 149.0
[M]+ 206.06053 141.3
[M]- 206.06163 141.3
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