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]+ 268.054276 155.6
[M+Na]+ 290.036218 164.4
[M-H]- 266.039724 158.3
[M+NH4]+ 285.080823 175.6
[M+K]+ 306.010158 155.1
[M+H-H2O]+ 250.044260 155.1
[M+HCOO]- 312.045201 174.2
[M+CH3COO]- 326.060851 195.7
[M+Na-2H]- 288.021666 160.4
[M]+ 267.04645142 176.7
[M]- 267.04754858 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.