CID 65046500

1491499-01-4

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CC1CCC2=CC(=C(N=C12)Cl)C#N
InChI
InChI=1S/C10H9ClN2/c1-6-2-3-7-4-8(5-12)10(11)13-9(6)7/h4,6H,2-3H2,1H3
InChIKey
BVVLIEYWQFGIMC-UHFFFAOYSA-N
Compound name
2-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 140.8
[M+Na]+ 215.03465 154.0
[M-H]- 191.03815 143.6
[M+NH4]+ 210.07925 161.1
[M+K]+ 231.00859 147.1
[M+H-H2O]+ 175.04269 128.9
[M+HCOO]- 237.04363 155.3
[M+CH3COO]- 251.05928 153.3
[M+Na-2H]- 213.02010 145.1
[M]+ 192.04488 137.4
[M]- 192.04598 137.4
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.