CID 75525942

Methyl 2-bromo-3-{[(tert-butoxy)carbonyl]amino}propanoate

Structural Information

Molecular Formula
C9H16BrNO4
SMILES
CC(C)(C)OC(=O)NCC(C(=O)OC)Br
InChI
InChI=1S/C9H16BrNO4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)
InChIKey
RFCMKEZZBUQPDF-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.02628 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03356 156.1
[M+Na]+ 304.01550 164.8
[M-H]- 280.01900 158.8
[M+NH4]+ 299.06010 175.3
[M+K]+ 319.98944 156.0
[M+H-H2O]+ 264.02354 155.5
[M+HCOO]- 326.02448 174.2
[M+CH3COO]- 340.04013 197.0
[M+Na-2H]- 302.00095 159.9
[M]+ 281.02573 177.2
[M]- 281.02683 177.2
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

patents stripe