CID 145712493

613666-84-5

Structural Information

Molecular Formula
C13H20N2O7
SMILES
CC(C)(C)OC(=O)NCCCOC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C13H20N2O7/c1-13(2,3)21-11(18)14-7-4-8-20-12(19)22-15-9(16)5-6-10(15)17/h4-8H2,1-3H3,(H,14,18)
InChIKey
JRNBTASSMKXPNN-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.12704 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.134316 168.8
[M+Na]+ 339.116258 173.8
[M-H]- 315.119764 170.7
[M+NH4]+ 334.160863 183.4
[M+K]+ 355.090198 174.6
[M+H-H2O]+ 299.124300 162.4
[M+HCOO]- 361.125241 188.3
[M+CH3COO]- 375.140891 204.2
[M+Na-2H]- 337.101706 169.6
[M]+ 316.12649142 173.7
[M]- 316.12758858 173.7
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

No patent data available for this compound.