CID 20716168

Tert-butyl n-{2-[(chlorocarbonyl)(methyl)amino]ethyl}-n-methylcarbamate

Structural Information

Molecular Formula
C10H19ClN2O3
SMILES
CC(C)(C)OC(=O)N(C)CCN(C)C(=O)Cl
InChI
InChI=1S/C10H19ClN2O3/c1-10(2,3)16-9(15)13(5)7-6-12(4)8(11)14/h6-7H2,1-5H3
InChIKey
ASXJGFBXIYFSJC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

250.10841 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11569 156.6
[M+Na]+ 273.09763 162.5
[M-H]- 249.10113 159.8
[M+NH4]+ 268.14223 175.7
[M+K]+ 289.07157 163.4
[M+H-H2O]+ 233.10567 152.0
[M+HCOO]- 295.10661 175.5
[M+CH3COO]- 309.12226 203.2
[M+Na-2H]- 271.08308 158.7
[M]+ 250.10786 163.3
[M]- 250.10896 163.3
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