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]+ 317.13432 168.8
[M+Na]+ 339.11626 173.8
[M-H]- 315.11976 170.7
[M+NH4]+ 334.16086 183.4
[M+K]+ 355.09020 174.6
[M+H-H2O]+ 299.12430 162.4
[M+HCOO]- 361.12524 188.3
[M+CH3COO]- 375.14089 204.2
[M+Na-2H]- 337.10171 169.6
[M]+ 316.12649 173.7
[M]- 316.12759 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.