CID 34179476

(r)-tert-butyl 3-bromopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H16BrNO2
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)Br
InChI
InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
QJTKPXFJOXKUEY-SSDOTTSWSA-N
Compound name
tert-butyl (3R)-3-bromopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

366
Patents

249.03644 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04372 152.9
[M+Na]+ 272.02566 163.3
[M-H]- 248.02916 157.7
[M+NH4]+ 267.07026 174.6
[M+K]+ 287.99960 153.9
[M+H-H2O]+ 232.03370 153.3
[M+HCOO]- 294.03464 169.9
[M+CH3COO]- 308.05029 188.4
[M+Na-2H]- 270.01111 156.7
[M]+ 249.03589 170.9
[M]- 249.03699 170.9
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