CID 12616198

Tranexamic dicarboxylic acid

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

C1CC(C(CC1CN)C(=O)O)C(=O)O

InChI

InChI=1S/C9H15NO4/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h5-7H,1-4,10H2,(H,11,12)(H,13,14)

InChIKey

NQSHFMIFPVMYOU-UHFFFAOYSA-N

Compound name

4-(aminomethyl)cyclohexane-1,2-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 201.10011 Da
Monoisotopic Mass: -2.8
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]+	202.10739	143.8
[M+Na]+	224.08933	148.1
[M-H]-	200.09283	143.6
[M+NH4]+	219.13393	160.7
[M+K]+	240.06327	146.6
[M+H-H2O]+	184.09737	138.4
[M+HCOO]-	246.09831	160.5
[M+CH3COO]-	260.11396	182.6
[M+Na-2H]-	222.07478	143.5
[M]+	201.09956	137.7
[M]-	201.10066	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe