CID 165910365

Tert-butyl n-[(1s)-3-bromo-1-cyclopropyl-2-oxopropyl]carbamate

Structural Information

Molecular Formula
C11H18BrNO3
SMILES
CC(C)(C)OC(=O)N[C@@H](C1CC1)C(=O)CBr
InChI
InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-9(7-4-5-7)8(14)6-12/h7,9H,4-6H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKey
LEKRLKCHSGLNOR-VIFPVBQESA-N
Compound name
tert-butyl N-[(1S)-3-bromo-1-cyclopropyl-2-oxopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.047 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05428 160.3
[M+Na]+ 314.03622 170.2
[M-H]- 290.03972 166.8
[M+NH4]+ 309.08082 174.7
[M+K]+ 330.01016 159.0
[M+H-H2O]+ 274.04426 159.2
[M+HCOO]- 336.04520 178.1
[M+CH3COO]- 350.06085 202.2
[M+Na-2H]- 312.02167 163.7
[M]+ 291.04645 181.4
[M]- 291.04755 181.4
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.