CID 130782661

Tert-butyl 3-(bromomethyl)-3-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC1(CCN(C1)C(=O)OC(C)(C)C)CBr
InChI
InChI=1S/C11H20BrNO2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-8H2,1-4H3
InChIKey
MEYJFBPZHPIMMO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)-3-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

277.06775 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07503 158.8
[M+Na]+ 300.05697 169.2
[M-H]- 276.06047 163.6
[M+NH4]+ 295.10157 181.4
[M+K]+ 316.03091 159.6
[M+H-H2O]+ 260.06501 160.1
[M+HCOO]- 322.06595 175.3
[M+CH3COO]- 336.08160 193.6
[M+Na-2H]- 298.04242 163.1
[M]+ 277.06720 178.0
[M]- 277.06830 178.0
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