CID 24773096

Propan-2-yl 2-chloropyridine-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

199.04001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 138.1
[M+Na]+ 222.029228 147.1
[M-H]- 198.032734 140.6
[M+NH4]+ 217.073833 157.1
[M+K]+ 238.003168 144.5
[M+H-H2O]+ 182.037270 132.5
[M+HCOO]- 244.038211 155.6
[M+CH3COO]- 258.053861 183.1
[M+Na-2H]- 220.014676 143.0
[M]+ 199.03946142 141.8
[M]- 199.04055858 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