CID 53429455

Tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(=O)CBr
InChI
InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-5-4-8(7-13)9(14)6-12/h8H,4-7H2,1-3H3
InChIKey
CSIKGZJXGIQELU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

291.047 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.054276 162.9
[M+Na]+ 314.036218 172.2
[M-H]- 290.039724 167.4
[M+NH4]+ 309.080823 182.7
[M+K]+ 330.010158 162.7
[M+H-H2O]+ 274.044260 162.9
[M+HCOO]- 336.045201 178.6
[M+CH3COO]- 350.060851 195.8
[M+Na-2H]- 312.021666 164.7
[M]+ 291.04645142 181.6
[M]- 291.04754858 181.6
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

patents stripe