CID 124298095

2080399-33-1

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CN1C=CN=C1[C@@H]2[C@H](CCC(=O)N2C3CC3)C(=O)O
InChI
InChI=1S/C13H17N3O3/c1-15-7-6-14-12(15)11-9(13(18)19)4-5-10(17)16(11)8-2-3-8/h6-9,11H,2-5H2,1H3,(H,18,19)/t9-,11-/m0/s1
InChIKey
FSAQOVCTZRATGA-ONGXEEELSA-N
Compound name
(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 166.9
[M+Na]+ 286.11620 176.0
[M-H]- 262.11970 172.0
[M+NH4]+ 281.16080 175.9
[M+K]+ 302.09014 170.6
[M+H-H2O]+ 246.12424 158.5
[M+HCOO]- 308.12518 182.9
[M+CH3COO]- 322.14083 197.2
[M+Na-2H]- 284.10165 165.2
[M]+ 263.12643 166.8
[M]- 263.12753 166.8
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.