CID 46737332

1185302-72-0

Structural Information

Molecular Formula
C13H15NO6
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1C(=O)O)C(=O)O
InChI
InChI=1S/C13H15NO6/c1-13(2,3)20-12(19)14-8-6-4-5-7(10(15)16)9(8)11(17)18/h4-6H,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKey
PZTGKHDIUBIWHZ-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]phthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.097216 159.9
[M+Na]+ 304.079158 165.7
[M-H]- 280.082664 161.1
[M+NH4]+ 299.123763 174.0
[M+K]+ 320.053098 165.1
[M+H-H2O]+ 264.087200 154.1
[M+HCOO]- 326.088141 178.4
[M+CH3COO]- 340.103791 197.1
[M+Na-2H]- 302.064606 161.6
[M]+ 281.08939142 161.4
[M]- 281.09048858 161.4
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

patents stripe