CID 21858447

Tert-butyl n-(2-chloropyridin-4-yl)carbamate

Structural Information

Molecular Formula
C10H13ClN2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC=C1)Cl
InChI
InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-12-8(11)6-7/h4-6H,1-3H3,(H,12,13,14)
InChIKey
SJCKHLJWAXGPGT-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chloropyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

228.06656 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07384 148.9
[M+Na]+ 251.05578 157.4
[M-H]- 227.05928 151.5
[M+NH4]+ 246.10038 166.7
[M+K]+ 267.02972 154.4
[M+H-H2O]+ 211.06382 143.2
[M+HCOO]- 273.06476 166.5
[M+CH3COO]- 287.08041 189.1
[M+Na-2H]- 249.04123 155.3
[M]+ 228.06601 152.1
[M]- 228.06711 152.1
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