CID 170918348

Tert-butyl n-(6-(bromomethyl)spiro(3.3)heptan-2-yl)carbamate

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)CBr
InChI
InChI=1S/C13H22BrNO2/c1-12(2,3)17-11(16)15-10-6-13(7-10)4-9(5-13)8-14/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKey
QJJURPZHJZFFNM-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-(bromomethyl)spiro[3.3]heptan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 150.1
[M+Na]+ 326.07262 155.4
[M-H]- 302.07612 156.9
[M+NH4]+ 321.11722 158.1
[M+K]+ 342.04656 151.7
[M+H-H2O]+ 286.08066 141.9
[M+HCOO]- 348.08160 164.2
[M+CH3COO]- 362.09725 211.4
[M+Na-2H]- 324.05807 155.0
[M]+ 303.08285 180.9
[M]- 303.08395 180.9
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

No patent data available for this compound.