CID 155822668

2503209-15-0

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC1(C=CCN1C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-7-5-6-11(12,4)8-13/h5-6,8H,7H2,1-4H3
InChIKey
VOZKGADERGXAFT-UHFFFAOYSA-N
Compound name
tert-butyl 5-formyl-5-methyl-2H-pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.6
[M+Na]+ 234.11007 154.8
[M-H]- 210.11357 149.2
[M+NH4]+ 229.15467 168.2
[M+K]+ 250.08401 154.3
[M+H-H2O]+ 194.11811 142.1
[M+HCOO]- 256.11905 167.1
[M+CH3COO]- 270.13470 184.5
[M+Na-2H]- 232.09552 151.0
[M]+ 211.12030 149.4
[M]- 211.12140 149.4
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

No patent data available for this compound.