CID 127370

N~2~-succinylornithine

Structural Information

Molecular Formula
C9H16N2O5
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN
InChI
InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKey
VWXQFHJBQHTHMK-LURJTMIESA-N
Compound name
(2S)-5-amino-2-(3-carboxypropanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

45
Patents

232.10593 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11321 152.7
[M+Na]+ 255.09515 155.7
[M-H]- 231.09865 149.1
[M+NH4]+ 250.13975 167.6
[M+K]+ 271.06909 155.4
[M+H-H2O]+ 215.10319 146.5
[M+HCOO]- 277.10413 171.6
[M+CH3COO]- 291.11978 191.3
[M+Na-2H]- 253.08060 151.5
[M]+ 232.10538 150.9
[M]- 232.10648 150.9
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

patents stripe