CID 155970417

2639391-75-4

Structural Information

Molecular Formula
C16H24BrNO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CCBr)COCC1=CC=CC=C1
InChI
InChI=1S/C16H24BrNO3/c1-16(2,3)21-15(19)18-14(9-10-17)12-20-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKey
IRHCCPUJFZDEEV-AWEZNQCLSA-N
Compound name
tert-butyl N-[(2S)-4-bromo-1-phenylmethoxybutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.09396 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10124 180.4
[M+Na]+ 380.08318 187.1
[M-H]- 356.08668 185.3
[M+NH4]+ 375.12778 196.5
[M+K]+ 396.05712 176.4
[M+H-H2O]+ 340.09122 178.5
[M+HCOO]- 402.09216 198.3
[M+CH3COO]- 416.10781 210.9
[M+Na-2H]- 378.06863 184.1
[M]+ 357.09341 201.7
[M]- 357.09451 201.7
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.