CID 165942778

Tert-butyl n-[3-(3-bromopropoxy)propyl]carbamate

Structural Information

Molecular Formula
C11H22BrNO3
SMILES
CC(C)(C)OC(=O)NCCCOCCCBr
InChI
InChI=1S/C11H22BrNO3/c1-11(2,3)16-10(14)13-7-5-9-15-8-4-6-12/h4-9H2,1-3H3,(H,13,14)
InChIKey
RRSWKNCQUKQGBB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(3-bromopropoxy)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08558 164.5
[M+Na]+ 318.06752 172.6
[M-H]- 294.07102 166.7
[M+NH4]+ 313.11212 183.4
[M+K]+ 334.04146 162.4
[M+H-H2O]+ 278.07556 163.5
[M+HCOO]- 340.07650 183.4
[M+CH3COO]- 354.09215 200.5
[M+Na-2H]- 316.05297 169.4
[M]+ 295.07775 186.9
[M]- 295.07885 186.9
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.