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]+ 186.112476 140.6
[M+Na]+ 208.094418 147.9
[M-H]- 184.097924 141.6
[M+NH4]+ 203.139023 160.5
[M+K]+ 224.068358 147.0
[M+H-H2O]+ 168.102460 135.8
[M+HCOO]- 230.103401 158.6
[M+CH3COO]- 244.119051 179.3
[M+Na-2H]- 206.079866 142.5
[M]+ 185.10465142 139.4
[M]- 185.10574858 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

literature stripe

Patent stripe

patents stripe