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]+ 236.104796 151.7
[M+Na]+ 258.086738 158.3
[M-H]- 234.090244 152.2
[M+NH4]+ 253.131343 170.4
[M+K]+ 274.060678 156.9
[M+H-H2O]+ 218.094780 148.4
[M+HCOO]- 280.095721 167.0
[M+CH3COO]- 294.111371 193.0
[M+Na-2H]- 256.072186 156.0
[M]+ 235.09697142 156.2
[M]- 235.09806858 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.