CID 137944535

2260937-35-5

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
CCN(C1=NC=CC(=C1)Cl)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H17ClN2O2/c1-5-15(11(16)17-12(2,3)4)10-8-9(13)6-7-14-10/h6-8H,5H2,1-4H3
InChIKey
JQCUCRMLWIBNEY-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chloropyridin-2-yl)-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10515 157.1
[M+Na]+ 279.08709 164.9
[M-H]- 255.09059 160.9
[M+NH4]+ 274.13169 174.4
[M+K]+ 295.06103 162.9
[M+H-H2O]+ 239.09513 150.8
[M+HCOO]- 301.09607 174.5
[M+CH3COO]- 315.11172 198.6
[M+Na-2H]- 277.07254 161.8
[M]+ 256.09732 162.4
[M]- 256.09842 162.4
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

No patent data available for this compound.