CID 2756780

669713-92-2

Structural Information

Molecular Formula
C13H16ClNO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)Cl)C(=O)O
InChI
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
BGMKFLAFNZFBBB-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

285.07678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08406 162.5
[M+Na]+ 308.06600 171.9
[M+NH4]+ 303.11060 168.0
[M+K]+ 324.03994 168.6
[M-H]- 284.06950 161.7
[M+Na-2H]- 306.05145 166.0
[M]+ 285.07623 163.6
[M]- 285.07733 163.6
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

patents stripe