CID 20142

Hydroxycaine

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCNC1=CC=C(C=C1)C(=O)OCC(CN(C)C)O
InChI
InChI=1S/C15H24N2O3/c1-4-9-16-13-7-5-12(6-8-13)15(19)20-11-14(18)10-17(2)3/h5-8,14,16,18H,4,9-11H2,1-3H3
InChIKey
SIVHMKRQTQHNIO-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2-hydroxypropyl] 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

165
Patents

280.17868 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.185956 168.9
[M+Na]+ 303.167898 172.2
[M-H]- 279.171404 171.7
[M+NH4]+ 298.212503 184.0
[M+K]+ 319.141838 171.4
[M+H-H2O]+ 263.175940 161.1
[M+HCOO]- 325.176881 191.3
[M+CH3COO]- 339.192531 207.7
[M+Na-2H]- 301.153346 170.0
[M]+ 280.17813142 171.4
[M]- 280.17922858 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe