CID 24703746

2-[(3-bromophenyl)formamido]-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C10H10BrNO4
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC(CO)C(=O)O
InChI
InChI=1S/C10H10BrNO4/c11-7-3-1-2-6(4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)
InChIKey
GZDCHOSSDQRVNM-UHFFFAOYSA-N
Compound name
2-[(3-bromobenzoyl)amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9793 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98658 153.9
[M+Na]+ 309.96852 162.2
[M-H]- 285.97202 157.1
[M+NH4]+ 305.01312 170.9
[M+K]+ 325.94246 151.2
[M+H-H2O]+ 269.97656 152.7
[M+HCOO]- 331.97750 171.6
[M+CH3COO]- 345.99315 193.7
[M+Na-2H]- 307.95397 157.2
[M]+ 286.97875 170.6
[M]- 286.97985 170.6
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.