CID 118989094

Tert-butyl 2-formyl-3,3-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CCN(C1C=O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-12(4,5)9(13)8-14/h8-9H,6-7H2,1-5H3
InChIKey
JIFWBGWFDJMEGF-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-3,3-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

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Patents

227.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.3
[M+Na]+ 250.14137 161.5
[M+NH4]+ 245.18597 160.7
[M+K]+ 266.11531 157.9
[M-H]- 226.14487 151.6
[M+Na-2H]- 248.12682 156.4
[M]+ 227.15160 153.8
[M]- 227.15270 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.