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]+ 264.134256 166.9
[M+Na]+ 286.116198 176.0
[M-H]- 262.119704 172.0
[M+NH4]+ 281.160803 175.9
[M+K]+ 302.090138 170.6
[M+H-H2O]+ 246.124240 158.5
[M+HCOO]- 308.125181 182.9
[M+CH3COO]- 322.140831 197.2
[M+Na-2H]- 284.101646 165.2
[M]+ 263.12643142 166.8
[M]- 263.12752858 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.