CID 121207544

1824018-70-3

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2CBr
InChI
InChI=1S/C13H22BrNO2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14/h10H,4-9H2,1-3H3
InChIKey
JAHRUPJRTPMZTM-UHFFFAOYSA-N
Compound name
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 169.4
[M+Na]+ 326.07262 180.1
[M-H]- 302.07612 176.5
[M+NH4]+ 321.11722 185.0
[M+K]+ 342.04656 169.8
[M+H-H2O]+ 286.08066 169.7
[M+HCOO]- 348.08160 183.3
[M+CH3COO]- 362.09725 200.9
[M+Na-2H]- 324.05807 174.2
[M]+ 303.08285 188.4
[M]- 303.08395 188.4
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.