CID 142613758

Tert-butyl n-(3-(2-bromoethoxy)propyl)-n-methylcarbamate

Structural Information

Molecular Formula
C11H22BrNO3
SMILES
CC(C)(C)OC(=O)N(C)CCCOCCBr
InChI
InChI=1S/C11H22BrNO3/c1-11(2,3)16-10(14)13(4)7-5-8-15-9-6-12/h5-9H2,1-4H3
InChIKey
GYSDPTLWCNPYNS-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-bromoethoxy)propyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.0783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08558 164.0
[M+Na]+ 318.06752 172.5
[M-H]- 294.07102 167.7
[M+NH4]+ 313.11212 183.6
[M+K]+ 334.04146 163.6
[M+H-H2O]+ 278.07556 163.0
[M+HCOO]- 340.07650 183.5
[M+CH3COO]- 354.09215 203.8
[M+Na-2H]- 316.05297 168.3
[M]+ 295.07775 187.7
[M]- 295.07885 187.7
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

patents stripe