CID 9837656

186268-78-0

Structural Information

Molecular Formula
C12H19NO4
SMILES
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1
InChIKey
FOPALECPEUVCTL-QMMMGPOBSA-N
Compound name
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

470
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 155.5
[M+Na]+ 264.120628 160.4
[M-H]- 240.124134 155.9
[M+NH4]+ 259.165233 172.6
[M+K]+ 280.094568 159.7
[M+H-H2O]+ 224.128670 150.2
[M+HCOO]- 286.129611 171.0
[M+CH3COO]- 300.145261 190.1
[M+Na-2H]- 262.106076 154.5
[M]+ 241.13086142 154.6
[M]- 241.13195858 154.6
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