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]+ 292.054276 160.3
[M+Na]+ 314.036218 170.2
[M-H]- 290.039724 166.8
[M+NH4]+ 309.080823 174.7
[M+K]+ 330.010158 159.0
[M+H-H2O]+ 274.044260 159.2
[M+HCOO]- 336.045201 178.1
[M+CH3COO]- 350.060851 202.2
[M+Na-2H]- 312.021666 163.7
[M]+ 291.04645142 181.4
[M]- 291.04754858 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.