CID 117274681

1895196-94-7

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CN(CC1C=O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-6-9(7-14)12(4,5)8-13/h7,9H,6,8H2,1-5H3
InChIKey
GJCUTGXTLPEJDI-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-3,3-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 151.4
[M+Na]+ 250.14137 159.0
[M-H]- 226.14487 153.8
[M+NH4]+ 245.18597 172.7
[M+K]+ 266.11531 158.5
[M+H-H2O]+ 210.14941 147.2
[M+HCOO]- 272.15035 170.1
[M+CH3COO]- 286.16600 189.1
[M+Na-2H]- 248.12682 153.9
[M]+ 227.15160 153.5
[M]- 227.15270 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

No patent data available for this compound.