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]+ 193.052706 140.8
[M+Na]+ 215.034648 154.0
[M-H]- 191.038154 143.6
[M+NH4]+ 210.079253 161.1
[M+K]+ 231.008588 147.1
[M+H-H2O]+ 175.042690 128.9
[M+HCOO]- 237.043631 155.3
[M+CH3COO]- 251.059281 153.3
[M+Na-2H]- 213.020096 145.1
[M]+ 192.04488142 137.4
[M]- 192.04597858 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.