CID 3163418

773865-05-7

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)N1CC(CC1=O)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-9(2,3)10-5-6(8(12)13)4-7(10)11/h6H,4-5H2,1-3H3,(H,12,13)
InChIKey
VDUOOJKMVVKJKA-UHFFFAOYSA-N
Compound name
1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

24
Patents

185.1052 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 140.6
[M+Na]+ 208.09442 147.9
[M-H]- 184.09792 141.6
[M+NH4]+ 203.13902 160.5
[M+K]+ 224.06836 147.0
[M+H-H2O]+ 168.10246 135.8
[M+HCOO]- 230.10340 158.6
[M+CH3COO]- 244.11905 179.3
[M+Na-2H]- 206.07987 142.5
[M]+ 185.10465 139.4
[M]- 185.10575 139.4
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.