CID 82618384

1517990-29-2

Structural Information

Molecular Formula
C12H21NO3
SMILES
CCC(=O)C1CCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-5-10(14)9-6-7-13(8-9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
QXPODYGRSAPFDR-UHFFFAOYSA-N
Compound name
tert-butyl 3-propanoylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.5
[M+Na]+ 250.14137 160.1
[M-H]- 226.14487 156.3
[M+NH4]+ 245.18597 173.3
[M+K]+ 266.11531 159.8
[M+H-H2O]+ 210.14941 148.9
[M+HCOO]- 272.15035 172.2
[M+CH3COO]- 286.16600 189.2
[M+Na-2H]- 248.12682 154.9
[M]+ 227.15160 155.3
[M]- 227.15270 155.3
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.