CID 124203050

Tcboc-leu-oh

Structural Information

Molecular Formula
C11H18Cl3NO4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C(Cl)(Cl)Cl
InChI
InChI=1S/C11H18Cl3NO4/c1-6(2)5-7(8(16)17)15-9(18)19-10(3,4)11(12,13)14/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17)/t7-/m0/s1
InChIKey
LMPYDSRXIGDZAB-ZETCQYMHSA-N
Compound name
(2S)-4-methyl-2-[(1,1,1-trichloro-2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.03743 165.8
[M+Na]+ 356.01937 171.6
[M-H]- 332.02287 164.0
[M+NH4]+ 351.06397 180.4
[M+K]+ 371.99331 167.9
[M+H-H2O]+ 316.02741 164.7
[M+HCOO]- 378.02835 168.1
[M+CH3COO]- 392.04400 206.0
[M+Na-2H]- 354.00482 165.9
[M]+ 333.02960 170.1
[M]- 333.03070 170.1
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

No patent data available for this compound.