CID 83168

13139-12-3

Structural Information

Molecular Formula
C9H13NO5
SMILES
CC(C)(C)OC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C9H13NO5/c1-9(2,3)14-8(13)15-10-6(11)4-5-7(10)12/h4-5H2,1-3H3
InChIKey
VTGFSVGZCYYHLO-UHFFFAOYSA-N
Compound name
tert-butyl (2,5-dioxopyrrolidin-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

484
Patents

215.07938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.086656 143.7
[M+Na]+ 238.068598 151.7
[M-H]- 214.072104 146.2
[M+NH4]+ 233.113203 163.0
[M+K]+ 254.042538 152.1
[M+H-H2O]+ 198.076640 138.6
[M+HCOO]- 260.077581 163.9
[M+CH3COO]- 274.093231 183.9
[M+Na-2H]- 236.054046 146.5
[M]+ 215.07883142 146.6
[M]- 215.07992858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe