CID 137943158

2260931-41-5

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC1(C=CCN1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H19NO2/c1-10(2,3)14-9(13)12-8-6-7-11(12,4)5/h6-7H,8H2,1-5H3
InChIKey
MMHNUMGCHUXDAE-UHFFFAOYSA-N
Compound name
tert-butyl 5,5-dimethyl-2H-pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 145.9
[M+Na]+ 220.13081 155.3
[M+NH4]+ 215.17541 154.3
[M+K]+ 236.10475 151.0
[M-H]- 196.13431 145.2
[M+Na-2H]- 218.11626 150.9
[M]+ 197.14104 147.0
[M]- 197.14214 147.0
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.