CID 11142700

91229-86-6

Structural Information

Molecular Formula
C14H26BrNO4
SMILES
CC(C)(C)OC(=O)[C@H](CCCBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H26BrNO4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,16,18)/t10-/m0/s1
InChIKey
UOJPSBYBSNFVHA-JTQLQIEISA-N
Compound name
tert-butyl (2S)-5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

351.10452 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11180 178.4
[M+Na]+ 374.09374 185.5
[M-H]- 350.09724 180.5
[M+NH4]+ 369.13834 195.1
[M+K]+ 390.06768 176.0
[M+H-H2O]+ 334.10178 177.6
[M+HCOO]- 396.10272 193.4
[M+CH3COO]- 410.11837 210.7
[M+Na-2H]- 372.07919 180.7
[M]+ 351.10397 200.6
[M]- 351.10507 200.6
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