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

16
Patents

206.06108 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.068356 144.1
[M+Na]+ 229.050298 158.1
[M-H]- 205.053804 147.3
[M+NH4]+ 224.094903 165.8
[M+K]+ 245.024238 150.4
[M+H-H2O]+ 189.058340 132.7
[M+HCOO]- 251.059281 158.4
[M+CH3COO]- 265.074931 156.7
[M+Na-2H]- 227.035746 149.0
[M]+ 206.06053142 141.3
[M]- 206.06162858 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