CID 11858766

Methyl (2s)-2-(2-bromoacetamido)-3-methylbutanoate

Structural Information

Molecular Formula
C8H14BrNO3
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)CBr
InChI
InChI=1S/C8H14BrNO3/c1-5(2)7(8(12)13-3)10-6(11)4-9/h5,7H,4H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKey
KRFWOCTZRRSBEI-ZETCQYMHSA-N
Compound name
methyl (2S)-2-[(2-bromoacetyl)amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.01572 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.02300 149.8
[M+Na]+ 274.00494 158.3
[M-H]- 250.00844 152.4
[M+NH4]+ 269.04954 169.9
[M+K]+ 289.97888 149.2
[M+H-H2O]+ 234.01298 148.9
[M+HCOO]- 296.01392 168.5
[M+CH3COO]- 310.02957 194.1
[M+Na-2H]- 271.99039 152.0
[M]+ 251.01517 169.1
[M]- 251.01627 169.1
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.