CID 121597655

1822848-95-2

Structural Information

Molecular Formula
C12H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)OCCCBr
InChI
InChI=1S/C12H22BrNO3/c1-12(2,3)17-11(15)14-7-5-10(9-14)16-8-4-6-13/h10H,4-9H2,1-3H3
InChIKey
GRRRFMREGWLZIK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromopropoxy)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08558 169.5
[M+Na]+ 330.06752 168.1
[M+NH4]+ 325.11212 171.9
[M+K]+ 346.04146 171.0
[M-H]- 306.07102 166.7
[M+Na-2H]- 328.05297 167.8
[M]+ 307.07775 166.9
[M]- 307.07885 166.9
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.