CID 59701147

858036-01-8

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CC1(C=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H8ClNO/c10-8-2-1-7(5-11-8)9(6-12)3-4-9/h1-2,5-6H,3-4H2
InChIKey
JTVIGCDEICVAGC-UHFFFAOYSA-N
Compound name
1-(6-chloropyridin-3-yl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

181.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 136.2
[M+Na]+ 204.01865 147.8
[M-H]- 180.02215 142.6
[M+NH4]+ 199.06325 152.8
[M+K]+ 219.99259 144.0
[M+H-H2O]+ 164.02669 130.4
[M+HCOO]- 226.02763 155.6
[M+CH3COO]- 240.04328 181.6
[M+Na-2H]- 202.00410 144.4
[M]+ 181.02888 140.7
[M]- 181.02998 140.7
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