CID 18658643

1932385-86-8

Structural Information

Molecular Formula
C11H18BrNO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)Br
InChI
InChI=1S/C11H18BrNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKey
TXQUSDPQTQXELO-SFYZADRCSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S,4R)-4-bromopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

307.04193 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04921 164.0
[M+Na]+ 330.03115 174.1
[M-H]- 306.03465 168.9
[M+NH4]+ 325.07575 183.5
[M+K]+ 346.00509 165.1
[M+H-H2O]+ 290.03919 164.1
[M+HCOO]- 352.04013 180.0
[M+CH3COO]- 366.05578 198.3
[M+Na-2H]- 328.01660 165.5
[M]+ 307.04138 184.3
[M]- 307.04248 184.3
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