CID 155973238

Tert-butyl n-[7-(bromomethyl)spiro[3.5]nonan-2-yl]carbamate

Structural Information

Molecular Formula
C15H26BrNO2
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CCC(CC2)CBr
InChI
InChI=1S/C15H26BrNO2/c1-14(2,3)19-13(18)17-12-8-15(9-12)6-4-11(10-16)5-7-15/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKey
DTIGPXRXUVSLGW-UHFFFAOYSA-N
Compound name
tert-butyl N-[7-(bromomethyl)spiro[3.5]nonan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1147 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12198 167.7
[M+Na]+ 354.10392 172.9
[M-H]- 330.10742 174.2
[M+NH4]+ 349.14852 181.1
[M+K]+ 370.07786 165.6
[M+H-H2O]+ 314.11196 163.1
[M+HCOO]- 376.11290 181.1
[M+CH3COO]- 390.12855 208.4
[M+Na-2H]- 352.08937 171.5
[M]+ 331.11415 190.4
[M]- 331.11525 190.4
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.