CID 102788243

1594473-38-7

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC1CCN(C1CBr)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H20BrNO2/c1-8-5-6-13(9(8)7-12)10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKey
FMIVIIYETJMQAE-UHFFFAOYSA-N
Compound name
tert-butyl 2-(bromomethyl)-3-methylpyrrolidine-1-carboxylate
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.075026 161.2
[M+Na]+ 300.056968 171.5
[M-H]- 276.060474 166.0
[M+NH4]+ 295.101573 182.1
[M+K]+ 316.030908 161.6
[M+H-H2O]+ 260.065010 161.4
[M+HCOO]- 322.065951 177.5
[M+CH3COO]- 336.081601 195.1
[M+Na-2H]- 298.042416 163.3
[M]+ 277.06720142 180.1
[M]- 277.06829858 180.1
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.