CID 177843206

Dtxsid001369314

Structural Information

Molecular Formula
C10H18ClNO3
SMILES
CC(C)(C(=O)OC)C(C)(C)NC(=O)CCl
InChI
InChI=1S/C10H18ClNO3/c1-9(2,8(14)15-5)10(3,4)12-7(13)6-11/h6H2,1-5H3,(H,12,13)
InChIKey
GCSFTCWBSHMDMR-UHFFFAOYSA-N
Compound name
methyl 3-[(2-chloroacetyl)amino]-2,2,3-trimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

235.09752 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10480 151.7
[M+Na]+ 258.08674 158.3
[M-H]- 234.09024 152.2
[M+NH4]+ 253.13134 170.4
[M+K]+ 274.06068 156.9
[M+H-H2O]+ 218.09478 148.4
[M+HCOO]- 280.09572 167.0
[M+CH3COO]- 294.11137 193.0
[M+Na-2H]- 256.07219 156.0
[M]+ 235.09697 156.2
[M]- 235.09807 156.2
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.