CID 139578451

Tert-butyl 3-(2-bromoethynyl)-3-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H16BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C#CBr)O
InChI
InChI=1S/C11H16BrNO3/c1-10(2,3)16-9(14)13-7-5-11(15,8-13)4-6-12/h15H,5,7-8H2,1-3H3
InChIKey
PECZBCUSZXNBMK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethynyl)-3-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

289.03137 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03865 158.1
[M+Na]+ 312.02059 170.6
[M-H]- 288.02409 159.4
[M+NH4]+ 307.06519 177.0
[M+K]+ 327.99453 158.9
[M+H-H2O]+ 272.02863 153.0
[M+HCOO]- 334.02957 170.8
[M+CH3COO]- 348.04522 197.9
[M+Na-2H]- 310.00604 161.3
[M]+ 289.03082 169.3
[M]- 289.03192 169.3
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