CID 68185503

Tert-butyl 3-(3-bromopropyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CCCBr
InChI
InChI=1S/C12H22BrNO2/c1-12(2,3)16-11(15)14-8-6-10(9-14)5-4-7-13/h10H,4-9H2,1-3H3
InChIKey
OAIBJQAOEVNQSD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromopropyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

291.0834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09068 166.8
[M+Na]+ 314.07262 175.9
[M-H]- 290.07612 171.1
[M+NH4]+ 309.11722 186.9
[M+K]+ 330.04656 165.8
[M+H-H2O]+ 274.08066 166.6
[M+HCOO]- 336.08160 182.8
[M+CH3COO]- 350.09725 196.8
[M+Na-2H]- 312.05807 169.0
[M]+ 291.08285 185.8
[M]- 291.08395 185.8
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.