CID 155858301

2580114-39-0

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@H]1CBr
InChI
InChI=1S/C13H22BrNO2/c1-13(2,3)17-12(16)15-10(8-14)7-9-5-4-6-11(9)15/h9-11H,4-8H2,1-3H3/t9-,10-,11-/m0/s1
InChIKey
CZJLRLCPFXEUBD-DCAQKATOSA-N
Compound name
tert-butyl (2S,3aS,6aS)-2-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 174.2
[M+Na]+ 326.07262 183.9
[M-H]- 302.07612 179.6
[M+NH4]+ 321.11722 196.6
[M+K]+ 342.04656 174.0
[M+H-H2O]+ 286.08066 175.0
[M+HCOO]- 348.08160 189.1
[M+CH3COO]- 362.09725 198.9
[M+Na-2H]- 324.05807 174.7
[M]+ 303.08285 192.0
[M]- 303.08395 192.0
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

No patent data available for this compound.