CID 18353783

Dtxsid601257830

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC(C)OC(=O)C1=NC(=CC=C1)Cl
InChI
InChI=1S/C9H10ClNO2/c1-6(2)13-9(12)7-4-3-5-8(10)11-7/h3-6H,1-2H3
InChIKey
GQVJFDDVZQTLGH-UHFFFAOYSA-N
Compound name
propan-2-yl 6-chloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

199.04001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 138.1
[M+Na]+ 222.02923 147.1
[M-H]- 198.03273 140.6
[M+NH4]+ 217.07383 157.1
[M+K]+ 238.00317 144.5
[M+H-H2O]+ 182.03727 132.5
[M+HCOO]- 244.03821 155.6
[M+CH3COO]- 258.05386 183.1
[M+Na-2H]- 220.01468 143.0
[M]+ 199.03946 141.8
[M]- 199.04056 141.8
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