CID 219221

2,9-diaminodecanedioic acid

Structural Information

Molecular Formula
C10H20N2O4
SMILES
C(CCCC(C(=O)O)N)CCC(C(=O)O)N
InChI
InChI=1S/C10H20N2O4/c11-7(9(13)14)5-3-1-2-4-6-8(12)10(15)16/h7-8H,1-6,11-12H2,(H,13,14)(H,15,16)
InChIKey
JOOVPMLVPBHUEJ-UHFFFAOYSA-N
Compound name
2,9-diaminodecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

232.1423 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 156.7
[M+Na]+ 255.13152 159.0
[M-H]- 231.13502 152.3
[M+NH4]+ 250.17612 171.4
[M+K]+ 271.10546 158.2
[M+H-H2O]+ 215.13956 150.4
[M+HCOO]- 277.14050 174.2
[M+CH3COO]- 291.15615 193.1
[M+Na-2H]- 253.11697 153.7
[M]+ 232.14175 153.6
[M]- 232.14285 153.6
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