CID 18515798

Tert-butyl 3-(3-bromopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H24BrNO2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCCBr
InChI
InChI=1S/C13H24BrNO2/c1-13(2,3)17-12(16)15-9-5-7-11(10-15)6-4-8-14/h11H,4-10H2,1-3H3
InChIKey
UMRCMCAKFKYCQF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

305.09903 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.106306 168.2
[M+Na]+ 328.088248 175.7
[M-H]- 304.091754 171.9
[M+NH4]+ 323.132853 185.9
[M+K]+ 344.062188 165.4
[M+H-H2O]+ 288.096290 167.6
[M+HCOO]- 350.097231 181.8
[M+CH3COO]- 364.112881 199.9
[M+Na-2H]- 326.073696 171.2
[M]+ 305.09848142 185.6
[M]- 305.09957858 185.6
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