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]+ 242.138686 153.7
[M+Na]+ 264.120628 161.2
[M-H]- 240.124134 156.3
[M+NH4]+ 259.165233 174.1
[M+K]+ 280.094568 161.5
[M+H-H2O]+ 224.128670 149.2
[M+HCOO]- 286.129611 173.1
[M+CH3COO]- 300.145261 189.8
[M+Na-2H]- 262.106076 156.7
[M]+ 241.13086142 157.7
[M]- 241.13195858 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.