CID 155944001

Tert-butyl n-(3-bromo-2-methoxypropyl)carbamate

Structural Information

Molecular Formula
C9H18BrNO3
SMILES
CC(C)(C)OC(=O)NCC(CBr)OC
InChI
InChI=1S/C9H18BrNO3/c1-9(2,3)14-8(12)11-6-7(5-10)13-4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKey
YMJWKZHQIXLQBE-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromo-2-methoxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05428 155.6
[M+Na]+ 290.03622 164.4
[M-H]- 266.03972 158.3
[M+NH4]+ 285.08082 175.6
[M+K]+ 306.01016 155.1
[M+H-H2O]+ 250.04426 155.1
[M+HCOO]- 312.04520 174.2
[M+CH3COO]- 326.06085 195.7
[M+Na-2H]- 288.02167 160.4
[M]+ 267.04645 176.7
[M]- 267.04755 176.7
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.