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-chloro-3-pyridinyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

181.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 136.2
[M+Na]+ 204.018648 147.8
[M-H]- 180.022154 142.6
[M+NH4]+ 199.063253 152.8
[M+K]+ 219.992588 144.0
[M+H-H2O]+ 164.026690 130.4
[M+HCOO]- 226.027631 155.6
[M+CH3COO]- 240.043281 181.6
[M+Na-2H]- 202.004096 144.4
[M]+ 181.02888142 140.7
[M]- 181.02997858 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