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 144.9
[M+Na]+ 220.13081 152.9
[M-H]- 196.13431 147.5
[M+NH4]+ 215.17541 167.3
[M+K]+ 236.10475 152.5
[M+H-H2O]+ 180.13885 140.4
[M+HCOO]- 242.13979 165.0
[M+CH3COO]- 256.15544 183.4
[M+Na-2H]- 218.11626 149.2
[M]+ 197.14104 146.9
[M]- 197.14214 146.9
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.