CID 54112037

40224-39-3

Structural Information

Molecular Formula
C11H20ClNO4
SMILES
CC(C)[C@@H](C(=O)OCCl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H20ClNO4/c1-7(2)8(9(14)16-6-12)13-10(15)17-11(3,4)5/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKey
NHUFQUUQDKNIOP-QMMMGPOBSA-N
Compound name
chloromethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

265.1081 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11538 159.3
[M+Na]+ 288.09732 164.8
[M-H]- 264.10082 159.6
[M+NH4]+ 283.14192 176.8
[M+K]+ 304.07126 164.2
[M+H-H2O]+ 248.10536 155.4
[M+HCOO]- 310.10630 174.3
[M+CH3COO]- 324.12195 198.1
[M+Na-2H]- 286.08277 159.9
[M]+ 265.10755 164.8
[M]- 265.10865 164.8
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