CID 5526

Tranexamic acid

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CC(CCC1CN)C(=O)O

InChI

InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)

InChIKey

GYDJEQRTZSCIOI-UHFFFAOYSA-N

Compound name

4-(aminomethyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6181
References: 52865
Patents: 157.11028 Da
Monoisotopic Mass: -2.0
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]+	158.11756	135.0
[M+Na]+	180.09950	139.4
[M-H]-	156.10300	136.0
[M+NH4]+	175.14410	154.5
[M+K]+	196.07344	137.9
[M+H-H2O]+	140.10754	129.6
[M+HCOO]-	202.10848	154.0
[M+CH3COO]-	216.12413	176.2
[M+Na-2H]-	178.08495	137.5
[M]+	157.10973	128.5
[M]-	157.11083	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe