CID 3294435

(s)-2-((s)-2,6-diaminohexanamido)succinic acid

Structural Information

Molecular Formula
C10H19N3O5
SMILES
C(CCN)CC(C(=O)NC(CC(=O)O)C(=O)O)N
InChI
InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)
InChIKey
CIOWSLJGLSUOME-UHFFFAOYSA-N
Compound name
2-(2,6-diaminohexanoylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4889
Patents

261.13248 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.139756 160.9
[M+Na]+ 284.121698 162.4
[M-H]- 260.125204 156.7
[M+NH4]+ 279.166303 173.8
[M+K]+ 300.095638 162.4
[M+H-H2O]+ 244.129740 153.9
[M+HCOO]- 306.130681 178.9
[M+CH3COO]- 320.146331 200.5
[M+Na-2H]- 282.107146 157.2
[M]+ 261.13193142 156.9
[M]- 261.13302858 156.9
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