CID 208718

4-(1-piperidinyl)-l-glutamic acid

Structural Information

Molecular Formula
C10H18N2O4
SMILES
C1CCN(CC1)C(C[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C10H18N2O4/c11-7(9(13)14)6-8(10(15)16)12-4-2-1-3-5-12/h7-8H,1-6,11H2,(H,13,14)(H,15,16)/t7-,8?/m0/s1
InChIKey
YIKWBGMEIPZPAQ-JAMMHHFISA-N
Compound name
(2S)-2-amino-4-piperidin-1-ylpentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.12666 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 153.1
[M+Na]+ 253.11588 154.5
[M-H]- 229.11938 150.6
[M+NH4]+ 248.16048 166.7
[M+K]+ 269.08982 153.9
[M+H-H2O]+ 213.12392 146.2
[M+HCOO]- 275.12486 166.3
[M+CH3COO]- 289.14051 187.8
[M+Na-2H]- 251.10133 151.3
[M]+ 230.12611 145.9
[M]- 230.12721 145.9
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

No patent data available for this compound.