CID 262730

Tert-butyl 2-(2-chloroacetamido)acetate

Structural Information

Molecular Formula
C8H14ClNO3
SMILES
CC(C)(C)OC(=O)CNC(=O)CCl
InChI
InChI=1S/C8H14ClNO3/c1-8(2,3)13-7(12)5-10-6(11)4-9/h4-5H2,1-3H3,(H,10,11)
InChIKey
PHUOTPQPSKNCRY-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(2-chloroacetyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

207.06622 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.073496 144.1
[M+Na]+ 230.055438 151.2
[M-H]- 206.058944 144.6
[M+NH4]+ 225.100043 163.9
[M+K]+ 246.029378 149.8
[M+H-H2O]+ 190.063480 140.5
[M+HCOO]- 252.064421 161.6
[M+CH3COO]- 266.080071 185.9
[M+Na-2H]- 228.040886 148.3
[M]+ 207.06567142 148.2
[M]- 207.06676858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe