CID 145913010

2378503-18-3

Structural Information

Molecular Formula
C15H22BrNO2
SMILES
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)CBr
InChI
InChI=1S/C15H22BrNO2/c1-15(2,3)19-14(18)17-11-13(10-16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,18)
InChIKey
HYQDLRYQNNISQF-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-benzyl-3-bromopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09068 173.3
[M+Na]+ 350.07262 180.6
[M-H]- 326.07612 178.5
[M+NH4]+ 345.11722 190.7
[M+K]+ 366.04656 169.6
[M+H-H2O]+ 310.08066 171.9
[M+HCOO]- 372.08160 191.4
[M+CH3COO]- 386.09725 206.3
[M+Na-2H]- 348.05807 177.5
[M]+ 327.08285 193.0
[M]- 327.08395 193.0
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.