CID 154809649

2551117-33-8

Structural Information

Molecular Formula
C10H14BrNO4
SMILES
CC(C)(C)OC(=O)N1CC(=C(C(=O)O)Br)C1
InChI
InChI=1S/C10H14BrNO4/c1-10(2,3)16-9(15)12-4-6(5-12)7(11)8(13)14/h4-5H2,1-3H3,(H,13,14)
InChIKey
OTMULKIMIUNNCT-UHFFFAOYSA-N
Compound name
2-bromo-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-ylidene]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.01062 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01790 153.0
[M+Na]+ 313.99984 160.5
[M-H]- 290.00334 156.1
[M+NH4]+ 309.04444 164.1
[M+K]+ 329.97378 154.0
[M+H-H2O]+ 274.00788 147.7
[M+HCOO]- 336.00882 165.9
[M+CH3COO]- 350.02447 196.7
[M+Na-2H]- 311.98529 155.1
[M]+ 291.01007 178.4
[M]- 291.01117 178.4
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.