CID 11776960

150109-48-1

Structural Information

Molecular Formula
C10H18ClNO4
SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)OCCl
InChI
InChI=1S/C10H18ClNO4/c1-9(2,3)16-8(14)12-10(4,5)7(13)15-6-11/h6H2,1-5H3,(H,12,14)
InChIKey
ZVIVWDWVAWCELW-UHFFFAOYSA-N
Compound name
chloromethyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

251.09244 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09972 154.5
[M+Na]+ 274.08166 161.2
[M-H]- 250.08516 155.1
[M+NH4]+ 269.12626 172.8
[M+K]+ 290.05560 160.4
[M+H-H2O]+ 234.08970 151.2
[M+HCOO]- 296.09064 170.1
[M+CH3COO]- 310.10629 193.7
[M+Na-2H]- 272.06711 159.0
[M]+ 251.09189 160.3
[M]- 251.09299 160.3
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