CID 137943630

2260937-45-7

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)C1(CCN(C1)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C14H25NO3/c1-12(2,3)14(10-16)7-8-15(9-14)11(17)18-13(4,5)6/h10H,7-9H2,1-6H3
InChIKey
UZWMLQLGZATLRE-UHFFFAOYSA-N
Compound name
tert-butyl 3-tert-butyl-3-formylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 160.7
[M+Na]+ 278.17266 167.1
[M-H]- 254.17616 162.8
[M+NH4]+ 273.21726 180.7
[M+K]+ 294.14660 166.7
[M+H-H2O]+ 238.18070 156.8
[M+HCOO]- 300.18164 177.2
[M+CH3COO]- 314.19729 193.7
[M+Na-2H]- 276.15811 164.0
[M]+ 255.18289 162.7
[M]- 255.18399 162.7
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.