CID 2756779

313490-25-4

Structural Information

Molecular Formula
C13H16ClNO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=C1Cl)C(=O)O
InChI
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
XPFJZGJBRMTXCE-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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 161.6
[M+Na]+ 308.06600 168.0
[M-H]- 284.06950 164.0
[M+NH4]+ 303.11060 177.4
[M+K]+ 324.03994 165.3
[M+H-H2O]+ 268.07404 156.8
[M+HCOO]- 330.07498 176.8
[M+CH3COO]- 344.09063 198.1
[M+Na-2H]- 306.05145 163.9
[M]+ 285.07623 164.7
[M]- 285.07733 164.7
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