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]+ 212.128126 146.6
[M+Na]+ 234.110068 154.8
[M-H]- 210.113574 149.2
[M+NH4]+ 229.154673 168.2
[M+K]+ 250.084008 154.3
[M+H-H2O]+ 194.118110 142.1
[M+HCOO]- 256.119051 167.1
[M+CH3COO]- 270.134701 184.5
[M+Na-2H]- 232.095516 151.0
[M]+ 211.12030142 149.4
[M]- 211.12139858 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.