CID 15624879

128811-38-1

Structural Information

Molecular Formula
C10H16BrNO3
SMILES
CC(C)(C)OC(=O)N1[C@H](CCC1=O)CBr
InChI
InChI=1S/C10H16BrNO3/c1-10(2,3)15-9(14)12-7(6-11)4-5-8(12)13/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
PBCOFGASVWDIPR-SSDOTTSWSA-N
Compound name
tert-butyl (2R)-2-(bromomethyl)-5-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.03137 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03865 157.3
[M+Na]+ 300.02059 168.1
[M-H]- 276.02409 162.2
[M+NH4]+ 295.06519 178.0
[M+K]+ 315.99453 158.4
[M+H-H2O]+ 260.02863 157.6
[M+HCOO]- 322.02957 174.3
[M+CH3COO]- 336.04522 193.3
[M+Na-2H]- 298.00604 160.2
[M]+ 277.03082 176.6
[M]- 277.03192 176.6
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

No patent data available for this compound.