CID 125511887

2137037-13-7

Structural Information

Molecular Formula
C10H18BrNO2
SMILES
CC(C)(C)OC(=O)NC1CC(C1)CBr
InChI
InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-8-4-7(5-8)6-11/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKey
OACMKTWDXOQYRD-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(bromomethyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0521 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05938 149.9
[M+Na]+ 286.04132 157.3
[M-H]- 262.04482 155.5
[M+NH4]+ 281.08592 164.0
[M+K]+ 302.01526 150.5
[M+H-H2O]+ 246.04936 144.5
[M+HCOO]- 308.05030 167.3
[M+CH3COO]- 322.06595 197.9
[M+Na-2H]- 284.02677 154.6
[M]+ 263.05155 175.7
[M]- 263.05265 175.7
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.