CID 11962700

Cetyl tranexamate hydrochloride

Structural Information

Molecular Formula
C24H47NO2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C1CCC(CC1)CN
InChI
InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)23-18-16-22(21-25)17-19-23/h22-23H,2-21,25H2,1H3
InChIKey
FNNJSYRQSGKSAY-UHFFFAOYSA-N
Compound name
hexadecyl 4-(aminomethyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

457
Patents

381.3607 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.36798 205.9
[M+Na]+ 404.34992 203.8
[M-H]- 380.35342 205.1
[M+NH4]+ 399.39452 216.9
[M+K]+ 420.32386 199.4
[M+H-H2O]+ 364.35796 197.1
[M+HCOO]- 426.35890 221.0
[M+CH3COO]- 440.37455 226.2
[M+Na-2H]- 402.33537 200.4
[M]+ 381.36015 207.0
[M]- 381.36125 207.0
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