CID 24730280

305329-97-9

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)CBr

InChI

InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3

InChIKey

NQNGQGISAMHLST-UHFFFAOYSA-N

Compound name

tert-butyl 3-(bromomethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 263.0521 Da
Monoisotopic Mass: 2.3
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]+	264.059376	157.6
[M+Na]+	286.041318	167.5
[M-H]-	262.044824	162.2
[M+NH4]+	281.085923	178.7
[M+K]+	302.015258	157.9
[M+H-H2O]+	246.049360	157.7
[M+HCOO]-	308.050301	174.3
[M+CH3COO]-	322.065951	191.2
[M+Na-2H]-	284.026766	160.8
[M]+	263.05155142	175.9
[M]-	263.05264858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe