CID 54463778

1-tert-butyl 2-methyl 4-iodo-1h-pyrrole-1,2-dicarboxylate

Structural Information

Molecular Formula
C11H14INO4
SMILES
CC(C)(C)OC(=O)N1C=C(C=C1C(=O)OC)I
InChI
InChI=1S/C11H14INO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h5-6H,1-4H3
InChIKey
XDKZDUOPFMNJSD-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl 4-iodopyrrole-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.99677 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.00405 163.2
[M+Na]+ 373.98599 164.6
[M-H]- 349.98949 159.3
[M+NH4]+ 369.03059 176.8
[M+K]+ 389.95993 170.2
[M+H-H2O]+ 333.99403 154.1
[M+HCOO]- 395.99497 179.0
[M+CH3COO]- 410.01062 198.8
[M+Na-2H]- 371.97144 153.0
[M]+ 350.99622 165.4
[M]- 350.99732 165.4
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