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: 15
Patents: 232.1423 Da
Monoisotopic Mass: -4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	233.149576	156.7
[M+Na]+	255.131518	159.0
[M-H]-	231.135024	152.3
[M+NH4]+	250.176123	171.4
[M+K]+	271.105458	158.2
[M+H-H2O]+	215.139560	150.4
[M+HCOO]-	277.140501	174.2
[M+CH3COO]-	291.156151	193.1
[M+Na-2H]-	253.116966	153.7
[M]+	232.14175142	153.6
[M]-	232.14284858	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe