CID 156351126

Tert-butyln-[2-(3-bromopropoxy)ethyl]carbamate

Structural Information

Molecular Formula
C10H20BrNO3
SMILES
CC(C)(C)OC(=O)NCCOCCCBr
InChI
InChI=1S/C10H20BrNO3/c1-10(2,3)15-9(13)12-6-8-14-7-4-5-11/h4-8H2,1-3H3,(H,12,13)
InChIKey
BKMNFRIHEBNNDY-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3-bromopropoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

281.06265 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06993 159.9
[M+Na]+ 304.05187 168.4
[M-H]- 280.05537 162.3
[M+NH4]+ 299.09647 179.3
[M+K]+ 320.02581 158.5
[M+H-H2O]+ 264.05991 159.1
[M+HCOO]- 326.06085 179.1
[M+CH3COO]- 340.07650 197.7
[M+Na-2H]- 302.03732 165.3
[M]+ 281.06210 182.0
[M]- 281.06320 182.0
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

patents stripe