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

0
References

1
Patents

227.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 151.4
[M+Na]+ 250.141368 159.0
[M-H]- 226.144874 153.8
[M+NH4]+ 245.185973 172.7
[M+K]+ 266.115308 158.5
[M+H-H2O]+ 210.149410 147.2
[M+HCOO]- 272.150351 170.1
[M+CH3COO]- 286.166001 189.1
[M+Na-2H]- 248.126816 153.9
[M]+ 227.15160142 153.5
[M]- 227.15269858 153.5
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

patents stripe