CID 162345097

Ns00133581

Structural Information

Molecular Formula
C9H9ClN2
SMILES
C1CC(=NC1Cl)C2=CN=CC=C2
InChI
InChI=1S/C9H9ClN2/c10-9-4-3-8(12-9)7-2-1-5-11-6-7/h1-2,5-6,9H,3-4H2
InChIKey
DHKILFBSURVOOO-UHFFFAOYSA-N
Compound name
3-(2-chloro-3,4-dihydro-2H-pyrrol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04543 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.052706 135.7
[M+Na]+ 203.034648 145.1
[M-H]- 179.038154 139.5
[M+NH4]+ 198.079253 155.5
[M+K]+ 219.008588 140.8
[M+H-H2O]+ 163.042690 128.1
[M+HCOO]- 225.043631 153.7
[M+CH3COO]- 239.059281 149.2
[M+Na-2H]- 201.020096 141.5
[M]+ 180.04488142 135.6
[M]- 180.04597858 135.6
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.