CID 53439192

72072-03-8

Structural Information

Molecular Formula

C₈H₁₄BrNO₃

SMILES

CC(C)(C)OC(=O)NCC(=O)CBr

InChI

InChI=1S/C8H14BrNO3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h4-5H2,1-3H3,(H,10,12)

InChIKey

QMFDGMKSRTZSPP-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-bromo-2-oxopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 251.01572 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.02300	149.1
[M+Na]+	274.00494	158.6
[M-H]-	250.00844	152.0
[M+NH4]+	269.04954	169.6
[M+K]+	289.97888	149.0
[M+H-H2O]+	234.01298	148.9
[M+HCOO]-	296.01392	168.3
[M+CH3COO]-	310.02957	192.0
[M+Na-2H]-	271.99039	154.5
[M]+	251.01517	169.3
[M]-	251.01627	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe