CID 104700650

1566970-96-4

Structural Information

Molecular Formula
C9H16BrNO3
SMILES
CC(C)(C)OC(=O)N(C)CC(=O)CBr
InChI
InChI=1S/C9H16BrNO3/c1-9(2,3)14-8(13)11(4)6-7(12)5-10/h5-6H2,1-4H3
InChIKey
QUBFAUMGJGGUOT-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromo-2-oxopropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03137 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03865 149.9
[M+Na]+ 288.02059 148.8
[M+NH4]+ 283.06519 152.4
[M+K]+ 303.99453 151.9
[M-H]- 264.02409 146.8
[M+Na-2H]- 286.00604 149.2
[M]+ 265.03082 147.4
[M]- 265.03192 147.4
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.