CID 129968799

91837-43-3

Structural Information

Molecular Formula
C15H16N2O6
SMILES
CC(C)(C)OC(=O)NCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H16N2O6/c1-15(2,3)22-14(21)16-8-11(18)23-17-12(19)9-6-4-5-7-10(9)13(17)20/h4-7H,8H2,1-3H3,(H,16,21)
InChIKey
GOUMYVDROFSDHY-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

320.10083 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10811 169.9
[M+Na]+ 343.09005 177.2
[M-H]- 319.09355 173.4
[M+NH4]+ 338.13465 185.5
[M+K]+ 359.06399 176.2
[M+H-H2O]+ 303.09809 163.7
[M+HCOO]- 365.09903 189.7
[M+CH3COO]- 379.11468 207.1
[M+Na-2H]- 341.07550 172.7
[M]+ 320.10028 174.8
[M]- 320.10138 174.8
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