CID 67387108

1822582-19-3

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC1=CC(N(C1)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-8-6-9(10(14)16-5)13(7-8)11(15)17-12(2,3)4/h6,9H,7H2,1-5H3
InChIKey
AXXYVVYWLXDSNV-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl 4-methyl-2,5-dihydropyrrole-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.3
[M+Na]+ 264.12063 163.4
[M+NH4]+ 259.16523 160.5
[M+K]+ 280.09457 162.7
[M-H]- 240.12413 153.1
[M+Na-2H]- 262.10608 156.7
[M]+ 241.13086 155.4
[M]- 241.13196 155.4
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