CID 132327766

2212004-17-4

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)CBr

InChI

InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9+/m0/s1

InChIKey

VYWILIRJCAZVBU-DTWKUNHWSA-N

Compound name

tert-butyl N-[(1R,3S)-3-(bromomethyl)cyclopentyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.06775 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.075026	163.2
[M+Na]+	300.056968	171.6
[M-H]-	276.060474	168.6
[M+NH4]+	295.101573	184.5
[M+K]+	316.030908	161.4
[M+H-H2O]+	260.065010	162.9
[M+HCOO]-	322.065951	181.4
[M+CH3COO]-	336.081601	196.1
[M+Na-2H]-	298.042416	166.0
[M]+	277.06720142	180.3
[M]-	277.06829858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.