CID 10198668

292825-83-3

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC1(C=CCN1C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-8-6-7-12(13,4)9(14)16-5/h6-7H,8H2,1-5H3
InChIKey
YDKVELHEMMJYJX-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 5-O-methyl 5-methyl-2H-pyrrole-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 153.7
[M+Na]+ 264.12063 161.2
[M-H]- 240.12413 156.3
[M+NH4]+ 259.16523 174.1
[M+K]+ 280.09457 161.5
[M+H-H2O]+ 224.12867 149.2
[M+HCOO]- 286.12961 173.1
[M+CH3COO]- 300.14526 189.8
[M+Na-2H]- 262.10608 156.7
[M]+ 241.13086 157.7
[M]- 241.13196 157.7
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.