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

0
Patents

201.10011 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.