CID 194695

(s)-2-amino-6-oxopimelate

Structural Information

Molecular Formula
C7H11NO5
SMILES
C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O
InChI
InChI=1S/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m0/s1
InChIKey
UKCSFKLWNHUBDY-BYPYZUCNSA-N
Compound name
(2S)-2-amino-6-oxoheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

98
Patents

189.06372 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07100 139.9
[M+Na]+ 212.05294 144.6
[M-H]- 188.05644 136.7
[M+NH4]+ 207.09754 156.8
[M+K]+ 228.02688 144.6
[M+H-H2O]+ 172.06098 134.6
[M+HCOO]- 234.06192 158.4
[M+CH3COO]- 248.07757 180.6
[M+Na-2H]- 210.03839 139.5
[M]+ 189.06317 138.3
[M]- 189.06427 138.3
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